N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide

C18H22ClN5O2 — CID 119481502

IUPACN-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1
InChIInChI=1S/C18H22ClN5O2/c19-15-4-1-5-16(9-15)24-12-14(10-22-24)18(26)23-8-2-3-13(11-23)17(25)21-7-6-20/h1,4-5,9-10,12-13H,2-3,6-8,11,20H2,(H,21,25)
InChIKeyDGAXXMBVQHFZCF-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.45
Rot. Bonds5

About N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 119481502) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID119481502
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC NameN-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1
InChIInChI=1S/C18H22ClN5O2/c19-15-4-1-5-16(9-15)24-12-14(10-22-24)18(26)23-8-2-3-13(11-23)17(25)21-7-6-20/h1,4-5,9-10,12-13H,2-3,6-8,11,20H2,(H,21,25)
InChIKeyDGAXXMBVQHFZCF-UHFFFAOYSA-N
XLogP1.45
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 119482001
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684827
N-(2-aminoethyl)-1-(1-tert-butylpyrazole-4-carbonyl)piperidine-3-carboxamide
CID 119479459
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chlorophenyl)pyrazol-4-yl]methanone
CID 119412281
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 95582875
N-(2-aminoethyl)-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481696
N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480725
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide
CID 119480976
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
N-(2-aminoethyl)-1-(3-chloro-4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119480975
N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 119479426
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide (CID 119481502) is N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is DGAXXMBVQHFZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c19-15-4-1-5-16(9-15)24-12-14(10-22-24)18(26)23-8-2-3-13(11-23)17(25)21-7-6-20/h1,4-5,9-10,12-13H,2-3,6-8,11,20H2,(H,21,25).
What are the key properties of N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119481502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).