1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide

C21H22N6O2 — CID 136524906

IUPAC1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(-c2nn[nH]n2)cc1)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C21H22N6O2/c28-20(22-14-15-9-11-16(12-10-15)19-23-25-26-24-19)18-8-4-5-13-27(18)21(29)17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,28)(H,23,24,25,26)
InChIKeyFUVBXAPURNEONU-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.18
Rot. Bonds5

About 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide

1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 136524906) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
PubChem CID136524906
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccc(-c2nn[nH]n2)cc1)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C21H22N6O2/c28-20(22-14-15-9-11-16(12-10-15)19-23-25-26-24-19)18-8-4-5-13-27(18)21(29)17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,28)(H,23,24,25,26)
InChIKeyFUVBXAPURNEONU-UHFFFAOYSA-N
XLogP2.18
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine-2-carboxamide
CID 131929739
(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025
N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 5019016
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 112821500
(2R)-N-benzyl-1-[(2R)-1-(4-fluorobenzoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 51049765
1-(3-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 46757142
3-amino-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119778405
1-benzoyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 110887535
(2S)-1-benzoyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]piperidine-2-carboxamide
CID 95990027
(2S)-1-[(2R)-1-benzoylpiperidine-2-carbonyl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 50985907
(2R)-N-benzyl-1-(2-phenoxyacetyl)piperidine-2-carboxamide
CID 118738129
(2R)-N-[(4-chlorophenyl)methyl]-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]pyrrolidine-2-carboxamide
CID 92893367

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide (CID 136524906) is 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide is O=C(NCc1ccc(-c2nn[nH]n2)cc1)C1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is FUVBXAPURNEONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-20(22-14-15-9-11-16(12-10-15)19-23-25-26-24-19)18-8-4-5-13-27(18)21(29)17-6-2-1-3-7-17/h1-3,6-7,9-12,18H,4-5,8,13-14H2,(H,22,28)(H,23,24,25,26).
What are the key properties of 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide?
1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 390.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 136524906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).