4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide

C12H21N3O — CID 110312656

IUPAC4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)3-6-14-12(16)15-7-4-11(9-13)5-8-15/h10-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyUYQQUKXLZOZDOW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.98
Rot. Bonds3

About 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide

4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide (PubChem CID 110312656) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
PubChem CID110312656
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide
SMILESCC(C)CCNC(=O)N1CCC(C#N)CC1
InChIInChI=1S/C12H21N3O/c1-10(2)3-6-14-12(16)15-7-4-11(9-13)5-8-15/h10-11H,3-8H2,1-2H3,(H,14,16)
InChIKeyUYQQUKXLZOZDOW-UHFFFAOYSA-N
XLogP1.98
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyano-N-(3-methylbutyl)piperidine-1-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

4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
4-cyano-N-methylpiperidine-1-carboxamide
CID 78942309
4-cyano-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 115598305
N-(3-hydroxybutyl)-4-methylpiperidine-1-carboxamide
CID 79160258
N-(3-methylbutyl)-1,4-thiazepane-4-carboxamide
CID 86999010
N-[(3R)-3-fluorobutyl]-4-methylpiperidine-1-carboxamide
CID 129348452
4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540824
N-(3-cyanopropyl)-4-methylpiperidine-1-carboxamide
CID 79160318
1-[(2R)-2-chloropropanoyl]piperidine-4-carbonitrile
CID 129322323
4-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
CID 48955140
N-(3-methylbutyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110299714

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide?
The IUPAC name of 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide (CID 110312656) is 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide?
The canonical SMILES for 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide is CC(C)CCNC(=O)N1CCC(C#N)CC1.
What is the InChIKey of 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide?
The InChIKey is UYQQUKXLZOZDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)3-6-14-12(16)15-7-4-11(9-13)5-8-15/h10-11H,3-8H2,1-2H3,(H,14,16).
What are the key properties of 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide?
4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-methylbutyl)piperidine-1-carboxamide is sourced from PubChem (CID 110312656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).