N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide

C12H19N3O — CID 61039700

IUPACN-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESN#CCCN(C(=O)C1CCNCC1)C1CC1
InChIInChI=1S/C12H19N3O/c13-6-1-9-15(11-2-3-11)12(16)10-4-7-14-8-5-10/h10-11,14H,1-5,7-9H2
InChIKeyZHFCHMPPUIEFKF-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.89
Rot. Bonds4

About N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide

N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 61039700) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID61039700
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESN#CCCN(C(=O)C1CCNCC1)C1CC1
InChIInChI=1S/C12H19N3O/c13-6-1-9-15(11-2-3-11)12(16)10-4-7-14-8-5-10/h10-11,14H,1-5,7-9H2
InChIKeyZHFCHMPPUIEFKF-UHFFFAOYSA-N
XLogP0.89
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-cyanoethyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 61157251
N-cyclopropyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 60948031
N-cyclopropyl-N-ethylpiperidine-4-carboxamide
CID 43264267
N-(2-cyanoethyl)-N-cyclopropylazepane-2-carboxamide
CID 64563457
N-(2-cyanoethyl)-N-cyclopropylthiomorpholine-3-carboxamide
CID 82909072
N-[2-(dimethylamino)ethyl]-N-piperidin-4-ylcyclopropanecarboxamide
CID 141093299
N-(2-cyanoethyl)-N-cyclopropyl-3,3-difluorocyclohexane-1-carboxamide
CID 114226292
4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide
CID 82125075
2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61038565
4-[piperidin-4-yl(propyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782800
N-cyclopentyl-N-ethylpiperidine-4-carboxamide;hydrochloride
CID 119288620

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide (CID 61039700) is N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide is N#CCCN(C(=O)C1CCNCC1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is ZHFCHMPPUIEFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-6-1-9-15(11-2-3-11)12(16)10-4-7-14-8-5-10/h10-11,14H,1-5,7-9H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide?
N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 61039700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).