2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

C16H21N3O2 — CID 109132206

IUPAC2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccncc1)C1CC1C(=O)N1CCCCC1
InChIInChI=1S/C16H21N3O2/c20-15(18-11-12-4-6-17-7-5-12)13-10-14(13)16(21)19-8-2-1-3-9-19/h4-7,13-14H,1-3,8-11H2,(H,18,20)
InChIKeyNOKGQQOJFWEVKX-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.35
Rot. Bonds4

About 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 109132206) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID109132206
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccncc1)C1CC1C(=O)N1CCCCC1
InChIInChI=1S/C16H21N3O2/c20-15(18-11-12-4-6-17-7-5-12)13-10-14(13)16(21)19-8-2-1-3-9-19/h4-7,13-14H,1-3,8-11H2,(H,18,20)
InChIKeyNOKGQQOJFWEVKX-UHFFFAOYSA-N
XLogP1.35
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132193
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
N-(1,3-benzodioxol-5-ylmethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132202
2-amino-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237334
N-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131808
N-(2-phenylethyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132207
N-[(2-fluorophenyl)methyl]-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131815
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135486
(2-pyridin-4-ylcyclopropyl)-pyrrolidin-1-ylmethanone
CID 174960082

Frequently Asked Questions

What is the IUPAC name of 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (CID 109132206) is 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1ccncc1)C1CC1C(=O)N1CCCCC1.
What is the InChIKey of 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is NOKGQQOJFWEVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(18-11-12-4-6-17-7-5-12)13-10-14(13)16(21)19-8-2-1-3-9-19/h4-7,13-14H,1-3,8-11H2,(H,18,20).
What are the key properties of 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109132206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).