N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C16H23N3O — CID 106739301

IUPACN-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)N(Cc2ccncc2)C2CC2)CCN1
InChIInChI=1S/C16H23N3O/c1-12-10-14(6-9-18-12)16(20)19(15-2-3-15)11-13-4-7-17-8-5-13/h4-5,7-8,12,14-15,18H,2-3,6,9-11H2,1H3
InChIKeyLEPGSNSZGIFMNI-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.96
Rot. Bonds4

About N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 106739301) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID106739301
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCC1CC(C(=O)N(Cc2ccncc2)C2CC2)CCN1
InChIInChI=1S/C16H23N3O/c1-12-10-14(6-9-18-12)16(20)19(15-2-3-15)11-13-4-7-17-8-5-13/h4-5,7-8,12,14-15,18H,2-3,6,9-11H2,1H3
InChIKeyLEPGSNSZGIFMNI-UHFFFAOYSA-N
XLogP1.96
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
(2S,4S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621340
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120621349
N-cyclopropyl-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 64562460
(2S,4S)-N-cyclopropyl-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621334
(2S,4S)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621348
4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 79510873
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
(2S,4S)-N-cyclopropyl-2-methyl-N-[(2-nitrophenyl)methyl]piperidine-4-carboxamide
CID 120639685
N-cyclopentyl-N-(furan-2-ylmethyl)-2-methylpiperidine-4-carboxamide
CID 106739346
N-butyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 106739366
4-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)cyclopent-2-ene-1-carboxamide
CID 79211040

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 106739301) is N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is CC1CC(C(=O)N(Cc2ccncc2)C2CC2)CCN1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is LEPGSNSZGIFMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-10-14(6-9-18-12)16(20)19(15-2-3-15)11-13-4-7-17-8-5-13/h4-5,7-8,12,14-15,18H,2-3,6,9-11H2,1H3.
What are the key properties of N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 106739301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).