1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide

C14H15ClN6O2 — CID 39896622

IUPAC1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CC1
InChIInChI=1S/C14H15ClN6O2/c15-10-1-2-12(21-8-17-18-19-21)11(7-10)14(23)20-5-3-9(4-6-20)13(16)22/h1-2,7-9H,3-6H2,(H2,16,22)
InChIKeySTOYRSUDTVTGTM-UHFFFAOYSA-N
MW334.77 g/mol
LogP0.65
Rot. Bonds3

About 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide

1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 39896622) has the molecular formula C14H15ClN6O2 and a molecular weight of 334.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
PubChem CID39896622
Molecular FormulaC14H15ClN6O2
Molecular Weight334.77 g/mol
Exact Mass334.09
IUPAC Name1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CC1
InChIInChI=1S/C14H15ClN6O2/c15-10-1-2-12(21-8-17-18-19-21)11(7-10)14(23)20-5-3-9(4-6-20)13(16)22/h1-2,7-9H,3-6H2,(H2,16,22)
InChIKeySTOYRSUDTVTGTM-UHFFFAOYSA-N
XLogP0.65
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.77
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 119479426
(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 125118625
(2,4-dichlorophenyl)-[4-[5-fluoro-2-(tetrazol-1-yl)benzoyl]piperazin-1-yl]methanone
CID 42534190
methyl 2-[1-[4-chloro-2-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate
CID 52902961
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120804102
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
[4-chloro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 71705867
[5-chloro-2-(tetrazol-1-yl)phenyl]-(1,4,5-oxadiazepan-4-yl)methanone
CID 167784943
[4-chloro-2-(tetrazol-1-yl)phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 28935033
(2S,3R)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methyl]-3-methylpyrrolidine-2-carboxamide
CID 90881973
[5-fluoro-2-(tetrazol-1-yl)phenyl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 71705753
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone
CID 120814501

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide (CID 39896622) is 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)CC1.
What is the InChIKey of 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is STOYRSUDTVTGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN6O2/c15-10-1-2-12(21-8-17-18-19-21)11(7-10)14(23)20-5-3-9(4-6-20)13(16)22/h1-2,7-9H,3-6H2,(H2,16,22).
What are the key properties of 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide?
1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 334.77 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 39896622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).