N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide

C23H27ClN6O — CID 71709425

IUPACN-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide
SMILESO=C(CC(Cn1cnnn1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27ClN6O/c24-21-8-6-19(7-9-21)20(16-30-17-25-27-28-30)14-23(31)26-22-10-12-29(13-11-22)15-18-4-2-1-3-5-18/h1-9,17,20,22H,10-16H2,(H,26,31)
InChIKeyZOCWTJDQGWXDMH-UHFFFAOYSA-N
MW438.96 g/mol
LogP3.28
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide

N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide (PubChem CID 71709425) has the molecular formula C23H27ClN6O and a molecular weight of 438.96 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide
PubChem CID71709425
Molecular FormulaC23H27ClN6O
Molecular Weight438.96 g/mol
Exact Mass438.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide
SMILESO=C(CC(Cn1cnnn1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27ClN6O/c24-21-8-6-19(7-9-21)20(16-30-17-25-27-28-30)14-23(31)26-22-10-12-29(13-11-22)15-18-4-2-1-3-5-18/h1-9,17,20,22H,10-16H2,(H,26,31)
InChIKeyZOCWTJDQGWXDMH-UHFFFAOYSA-N
XLogP3.28
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide 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

3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-(tetrazol-1-yl)butanamide
CID 71707100
N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-pyrrol-1-ylbutanamide
CID 71709557
(3R)-3-(4-chlorophenyl)-N-[(3S)-1,1-dioxothiolan-3-yl]-4-(tetrazol-1-yl)butanamide
CID 97266708
(3R)-3-(4-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-4-pyrrol-1-ylbutanamide
CID 97263847
3-(4-chlorophenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-(tetrazol-1-yl)butanamide
CID 71704289
N-(1-benzylpiperidin-4-yl)-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519242
N-(1-benzylpiperidin-4-yl)-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8639280
3-(4-chlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)-4-(tetrazol-1-yl)butan-1-one
CID 71703546
N-(1-benzylpiperidin-4-yl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8594554
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 8816232
N-(1-benzylpiperidin-4-yl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26691415
N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide (CID 71709425) is N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide is O=C(CC(Cn1cnnn1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide?
The InChIKey is ZOCWTJDQGWXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN6O/c24-21-8-6-19(7-9-21)20(16-30-17-25-27-28-30)14-23(31)26-22-10-12-29(13-11-22)15-18-4-2-1-3-5-18/h1-9,17,20,22H,10-16H2,(H,26,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide?
N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide has a molecular weight of 438.96 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-(4-chlorophenyl)-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 71709425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).