1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide

C12H19N3O — CID 47314367

IUPAC1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESN#CCCN1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C12H19N3O/c13-6-1-7-15-8-4-10(5-9-15)12(16)14-11-2-3-11/h10-11H,1-5,7-9H2,(H,14,16)
InChIKeyZZJLGHURSMDLAP-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.89
Rot. Bonds4

About 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide

1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 47314367) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
PubChem CID47314367
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
SMILESN#CCCN1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C12H19N3O/c13-6-1-7-15-8-4-10(5-9-15)12(16)14-11-2-3-11/h10-11H,1-5,7-9H2,(H,14,16)
InChIKeyZZJLGHURSMDLAP-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

1-(2-cyanoethyl)-N-cyclohexylpiperidine-4-carboxamide
CID 47464889
(3S)-1-(2-cyanoethyl)-N-cyclohexylpiperidine-3-carboxamide
CID 94216432
N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 23551843
1-(4-cyanobutyl)-N-methylpiperidine-4-carboxamide
CID 55136373
1-(2-aminoethyl)-N-cyclobutylpiperidine-4-carboxamide
CID 115161796
3-[4-[2-(cyclopropylamino)acetyl]piperazin-1-yl]propanenitrile
CID 115348021
1-methyl-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 115277550
3-[4-(cyanomethylamino)piperidin-1-yl]propanenitrile
CID 162706867
3-[4-(hydroxymethyl)piperidin-1-yl]propanenitrile
CID 43133161
N-cyclopropyl-1-(1,3-oxazol-4-ylmethyl)piperidine-4-carboxamide
CID 172890946
N-[1-(2-hydroxyethyl)piperidin-4-yl]-1-propanoylpiperidine-4-carboxamide
CID 131939521
N-[1-(2-cyanoacetyl)piperidin-4-yl]cyclopentanecarboxamide
CID 108922380

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide (CID 47314367) is 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide is N#CCCN1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is ZZJLGHURSMDLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-6-1-7-15-8-4-10(5-9-15)12(16)14-11-2-3-11/h10-11H,1-5,7-9H2,(H,14,16).
What are the key properties of 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide?
1-(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 1-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 47314367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).