N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine

C90H98N20O4S2 — CID 161146482

IUPACN-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine
SMILES[C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nn[nH]n2)CC1)(c1ccccc1)c1ccccc1.[C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nnn(CCNS(C)(=O)=O)n2)CC1)(c1ccccc1)c1ccccc1.[C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nnnn2CCNS(C)(=O)=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C31H35N7O2S.C28H28N6/c1-32-31(27-14-8-4-9-15-27,28-16-10-5-11-17-28)20-24-37-22-18-30(19-23-37,26-12-6-3-7-13-26)29-34-35-36-38(29)25-21-33-41(2,39)40;1-32-31(27-14-8-4-9-15-27,28-16-10-5-11-17-28)20-24-37-22-18-30(19-23-37,26-12-6-3-7-13-26)29-34-36-38(35-29)25-21-33-41(2,39)40;1-29-28(24-13-7-3-8-14-24,25-15-9-4-10-16-25)19-22-34-20-17-27(18-21-34,26-30-32-33-31-26)23-11-5-2-6-12-23/h2*3-17,33H,18-25H2,2H3;2-16H,17-22H2,(H,30,31,32,33)
InChIKeyUOCSLFNONOTKED-UHFFFAOYSA-N
MW1588.04 g/mol
LogP12.55
Rot. Bonds29

About N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine

N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine (PubChem CID 161146482) has the molecular formula C90H98N20O4S2 and a molecular weight of 1588.04 g/mol. Its IUPAC name is N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound NameN-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine
PubChem CID161146482
Molecular FormulaC90H98N20O4S2
Molecular Weight1588.04 g/mol
Exact Mass1586.75
IUPAC NameN-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine
SMILES[C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nn[nH]n2)CC1)(c1ccccc1)c1ccccc1.[C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nnn(CCNS(C)(=O)=O)n2)CC1)(c1ccccc1)c1ccccc1.[C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nnnn2CCNS(C)(=O)=O)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C31H35N7O2S.C28H28N6/c1-32-31(27-14-8-4-9-15-27,28-16-10-5-11-17-28)20-24-37-22-18-30(19-23-37,26-12-6-3-7-13-26)29-34-35-36-38(29)25-21-33-41(2,39)40;1-32-31(27-14-8-4-9-15-27,28-16-10-5-11-17-28)20-24-37-22-18-30(19-23-37,26-12-6-3-7-13-26)29-34-36-38(35-29)25-21-33-41(2,39)40;1-29-28(24-13-7-3-8-14-24,25-15-9-4-10-16-25)19-22-34-20-17-27(18-21-34,26-30-32-33-31-26)23-11-5-2-6-12-23/h2*3-17,33H,18-25H2,2H3;2-16H,17-22H2,(H,30,31,32,33)
InChIKeyUOCSLFNONOTKED-UHFFFAOYSA-N
XLogP12.55
TPSA256.80 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds29
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001588.04
LogP ≤ 512.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]acetamide
CID 58842942
[3-[4-[2-[2-(methanesulfonamido)ethyl]tetrazol-5-yl]-4-phenylpiperidin-1-yl]-1,1-diphenylpropoxy]methylidene-dimethylazanium
CID 58842951
2-[5-(1-phenylcyclopentyl)tetrazol-1-yl]ethanamine
CID 63080778
2-[5-(1-phenylcyclobutyl)tetrazol-1-yl]ethanamine
CID 63080580
4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240699
2-[5-(4-phenyloxan-4-yl)tetrazol-1-yl]ethanamine
CID 63081707
2-methyl-4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butanoic acid
CID 80541633
4-[5-(1-phenylcyclopropyl)tetrazol-1-yl]butan-1-amine
CID 106387297
4-[2-[(4-tert-butylphenyl)methyl]tetrazol-5-yl]-4-phenylpiperidine-1-carboxylic acid
CID 22240887
5-(1-phenylcyclopentyl)-2H-tetrazole
CID 63079747
2-[5-(1-benzyl-4-phenylpiperidin-4-yl)tetrazol-2-yl]ethoxymethanamine
CID 143087593
N,N-dimethyl-2,2-diphenyl-4-[4-phenyl-4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]butanamide;methane
CID 160557424

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine (CID 161146482) is N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine is [C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nn[nH]n2)CC1)(c1ccccc1)c1ccccc1.[C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nnn(CCNS(C)(=O)=O)n2)CC1)(c1ccccc1)c1ccccc1.[C-]#[N+]C(CCN1CCC(c2ccccc2)(c2nnnn2CCNS(C)(=O)=O)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine?
The InChIKey is UOCSLFNONOTKED-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H35N7O2S.C28H28N6/c1-32-31(27-14-8-4-9-15-27,28-16-10-5-11-17-28)20-24-37-22-18-30(19-23-37,26-12-6-3-7-13-26)29-34-35-36-38(29)25-21-33-41(2,39)40;1-32-31(27-14-8-4-9-15-27,28-16-10-5-11-17-28)20-24-37-22-18-30(19-23-37,26-12-6-3-7-13-26)29-34-36-38(35-29)25-21-33-41(2,39)40;1-29-28(24-13-7-3-8-14-24,25-15-9-4-10-16-25)19-22-34-20-17-27(18-21-34,26-30-32-33-31-26)23-11-5-2-6-12-23/h2*3-17,33H,18-25H2,2H3;2-16H,17-22H2,(H,30,31,32,33).
What are the key properties of N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine?
N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine has a molecular weight of 1588.04 g/mol, XLogP of 12.55, 29 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-1-yl]ethyl]methanesulfonamide;N-[2-[5-[1-(3-isocyano-3,3-diphenylpropyl)-4-phenylpiperidin-4-yl]tetrazol-2-yl]ethyl]methanesulfonamide;1-(3-isocyano-3,3-diphenylpropyl)-4-phenyl-4-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 161146482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).