N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide

C13H23N3O — CID 63121904

IUPACN-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1(C)CCNCC1
InChIInChI=1S/C13H23N3O/c1-11(2)16(10-4-7-14)12(17)13(3)5-8-15-9-6-13/h11,15H,4-6,8-10H2,1-3H3
InChIKeyCKBUTXHBTJWJDB-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.53
Rot. Bonds4

About N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide

N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 63121904) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID63121904
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)N(CCC#N)C(=O)C1(C)CCNCC1
InChIInChI=1S/C13H23N3O/c1-11(2)16(10-4-7-14)12(17)13(3)5-8-15-9-6-13/h11,15H,4-6,8-10H2,1-3H3
InChIKeyCKBUTXHBTJWJDB-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-4-ethyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128126
N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128127
1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 115452269
1-[2-cyanoethyl(propan-2-yl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124654
N-(2-cyanoethyl)-N,4-diethylpiperidine-4-carboxamide
CID 63128833
(3R)-N-(2-cyanoethyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 81123881
2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
CID 64685385
N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107026383
N,N-bis(2-hydroxyethyl)-4-methylpiperidine-4-carboxamide
CID 63122118
N-(2-cyanoethyl)-N-propan-2-yl-2-sulfanylpropanamide
CID 107026385
4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128354
2-[1-[[2-cyanoethyl(propan-2-yl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64701080

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 63121904) is N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(C)N(CCC#N)C(=O)C1(C)CCNCC1.
What is the InChIKey of N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is CKBUTXHBTJWJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)16(10-4-7-14)12(17)13(3)5-8-15-9-6-13/h11,15H,4-6,8-10H2,1-3H3.
What are the key properties of N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide?
N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-4-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 63121904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).