4-butyl-N,N-dimethylpiperidine-1-carboxamide

C12H24N2O — CID 22970130

IUPAC4-butyl-N,N-dimethylpiperidine-1-carboxamide
SMILESCCCCC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-4-5-6-11-7-9-14(10-8-11)12(15)13(2)3/h11H,4-10H2,1-3H3
InChIKeyPSDXXIVSQJMLNO-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.57
Rot. Bonds3

About 4-butyl-N,N-dimethylpiperidine-1-carboxamide

4-butyl-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 22970130) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 4-butyl-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N,N-dimethylpiperidine-1-carboxamide
PubChem CID22970130
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name4-butyl-N,N-dimethylpiperidine-1-carboxamide
SMILESCCCCC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H24N2O/c1-4-5-6-11-7-9-14(10-8-11)12(15)13(2)3/h11H,4-10H2,1-3H3
InChIKeyPSDXXIVSQJMLNO-UHFFFAOYSA-N
XLogP2.57
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-butyl-N,N-dimethylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-butyl-N,N-dimethylpiperidine-1-carboxamide (CID 22970130) is 4-butyl-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-butyl-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-butyl-N,N-dimethylpiperidine-1-carboxamide is CCCCC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-butyl-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is PSDXXIVSQJMLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-11-7-9-14(10-8-11)12(15)13(2)3/h11H,4-10H2,1-3H3.
What are the key properties of 4-butyl-N,N-dimethylpiperidine-1-carboxamide?
4-butyl-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 212.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 22970130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).