1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

C21H21ClN6O2 — CID 45250339

IUPAC1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C21H21ClN6O2/c22-17-6-1-4-15(10-17)11-20(29)27-9-3-5-16(13-27)21(30)24-18-7-2-8-19(12-18)28-14-23-25-26-28/h1-2,4,6-8,10,12,14,16H,3,5,9,11,13H2,(H,24,30)
InChIKeyCUHMPOFOYUEMNU-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.74
Rot. Bonds5

About 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 45250339) has the molecular formula C21H21ClN6O2 and a molecular weight of 424.89 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID45250339
Molecular FormulaC21H21ClN6O2
Molecular Weight424.89 g/mol
Exact Mass424.14
IUPAC Name1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(C(=O)Cc2cccc(Cl)c2)C1
InChIInChI=1S/C21H21ClN6O2/c22-17-6-1-4-15(10-17)11-20(29)27-9-3-5-16(13-27)21(30)24-18-7-2-8-19(12-18)28-14-23-25-26-28/h1-2,4,6-8,10,12,14,16H,3,5,9,11,13H2,(H,24,30)
InChIKeyCUHMPOFOYUEMNU-UHFFFAOYSA-N
XLogP2.74
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303
(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
CID 42214946
1-(5-methyl-1,3-oxazole-4-carbonyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 72868592
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
N-(3-methyl-2-pyridinyl)-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-3-carboxamide
CID 55896049
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963
1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45208952
1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45214258
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26409028

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 45250339) is 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(C(=O)Cc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is CUHMPOFOYUEMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2/c22-17-6-1-4-15(10-17)11-20(29)27-9-3-5-16(13-27)21(30)24-18-7-2-8-19(12-18)28-14-23-25-26-28/h1-2,4,6-8,10,12,14,16H,3,5,9,11,13H2,(H,24,30).
What are the key properties of 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45250339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).