N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide

C20H28N6O — CID 1445102

IUPACN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C20H28N6O/c1-15-6-2-5-9-18(15)20(27)21-16-10-12-25(13-11-16)14-19-22-23-24-26(19)17-7-3-4-8-17/h2,5-6,9,16-17H,3-4,7-8,10-14H2,1H3,(H,21,27)
InChIKeyIYYCOONXZSEDTI-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.49
Rot. Bonds5

About N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 1445102) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID1445102
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC NameN-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1
InChIInChI=1S/C20H28N6O/c1-15-6-2-5-9-18(15)20(27)21-16-10-12-25(13-11-16)14-19-22-23-24-26(19)17-7-3-4-8-17/h2,5-6,9,16-17H,3-4,7-8,10-14H2,1H3,(H,21,27)
InChIKeyIYYCOONXZSEDTI-UHFFFAOYSA-N
XLogP2.49
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide 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

4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)-N-methylbenzamide
CID 49865290
5-(Biphenyl-3-ylcarboxamidomethyl)-N,N-dimethyl-1H-tetrazole-1-carboxamide
CID 24795718
4-[[(1-cyclohexyltetrazol-5-yl)methylamino]methyl]-N-hydroxybenzamide
CID 162654901
4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide
CID 162655485
N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 162662378
N-[2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-propyl]-benzamide
CID 6499834
2-Methyl-N-[1-(1-phenethyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-benzamide
CID 646162
N-[1-(1-Benzyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-2-methyl-benzamide
CID 651332
N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 1445087
N-[(4-allyl-5-{[2-(cyclopentylamino)-2-oxoethyl]thio}-4H-1,2,4-triazol-3-yl)methyl]-2-methylbenzamide
CID 2954691
2,2-dimethyl-N-[1-[[1-[(4-methylphenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]propanamide;hydrochloride
CID 16192839
2-Fluoro-N-[1-(1-phenethyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-benzamide
CID 645546

Frequently Asked Questions

What is the IUPAC name of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide (CID 1445102) is N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2C2CCCC2)CC1.
What is the InChIKey of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is IYYCOONXZSEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-15-6-2-5-9-18(15)20(27)21-16-10-12-25(13-11-16)14-19-22-23-24-26(19)17-7-3-4-8-17/h2,5-6,9,16-17H,3-4,7-8,10-14H2,1H3,(H,21,27).
What are the key properties of N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 368.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1-cyclopentyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 1445102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).