N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide

C16H20ClN7O2 — CID 119479426

IUPACN-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1
InChIInChI=1S/C16H20ClN7O2/c17-12-3-4-14(24-10-20-21-22-24)13(8-12)16(26)23-7-1-2-11(9-23)15(25)19-6-5-18/h3-4,8,10-11H,1-2,5-7,9,18H2,(H,19,25)
InChIKeySWPUTPTUQLJYDS-UHFFFAOYSA-N
MW377.84 g/mol
LogP0.24
Rot. Bonds5

About N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide (PubChem CID 119479426) has the molecular formula C16H20ClN7O2 and a molecular weight of 377.84 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide
PubChem CID119479426
Molecular FormulaC16H20ClN7O2
Molecular Weight377.84 g/mol
Exact Mass377.14
IUPAC NameN-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1
InChIInChI=1S/C16H20ClN7O2/c17-12-3-4-14(24-10-20-21-22-24)13(8-12)16(26)23-7-1-2-11(9-23)15(25)19-6-5-18/h3-4,8,10-11H,1-2,5-7,9,18H2,(H,19,25)
InChIKeySWPUTPTUQLJYDS-UHFFFAOYSA-N
XLogP0.24
TPSA119.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
CID 39896622
N-(2-aminoethyl)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxamide
CID 106688486
(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 125118625
N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide
CID 119481502
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
N-(2-aminoethyl)-1-(2-chloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
CID 119481286
N-(2-aminoethyl)-1-(4-bromo-2-chlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119482146
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride
CID 120804102
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
N-(2-aminoethyl)-1-(2,4-dichloro-5-methylsulfanylbenzoyl)piperidine-3-carboxamide
CID 119480469

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide (CID 119479426) is N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide?
The InChIKey is SWPUTPTUQLJYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN7O2/c17-12-3-4-14(24-10-20-21-22-24)13(8-12)16(26)23-7-1-2-11(9-23)15(25)19-6-5-18/h3-4,8,10-11H,1-2,5-7,9,18H2,(H,19,25).
What are the key properties of N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide has a molecular weight of 377.84 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).