4-(1-phenylbutylamino)piperidine-1-carboxamide

C16H25N3O — CID 43785944

IUPAC4-(1-phenylbutylamino)piperidine-1-carboxamide
SMILESCCCC(NC1CCN(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-6-15(13-7-4-3-5-8-13)18-14-9-11-19(12-10-14)16(17)20/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3,(H2,17,20)
InChIKeyZLRIJJCAILDUMS-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.66
Rot. Bonds5

About 4-(1-phenylbutylamino)piperidine-1-carboxamide

4-(1-phenylbutylamino)piperidine-1-carboxamide (PubChem CID 43785944) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(1-phenylbutylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-phenylbutylamino)piperidine-1-carboxamide
PubChem CID43785944
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(1-phenylbutylamino)piperidine-1-carboxamide
SMILESCCCC(NC1CCN(C(N)=O)CC1)c1ccccc1
InChIInChI=1S/C16H25N3O/c1-2-6-15(13-7-4-3-5-8-13)18-14-9-11-19(12-10-14)16(17)20/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3,(H2,17,20)
InChIKeyZLRIJJCAILDUMS-UHFFFAOYSA-N
XLogP2.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1-phenylbutylamino)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

1-[4-(1-phenylbutylamino)piperidin-1-yl]ethanone
CID 43224633
1-ethyl-N-(1-phenylbutyl)piperidin-4-amine
CID 43224635
N-(1-phenylbutyl)-1-propan-2-ylpiperidin-4-amine
CID 43182970
1-phenylbutylurea
CID 2852079
1-[4-(methylamino)piperidin-1-yl]-2-phenylpentan-1-one
CID 119560444
N-(1-phenylbutyl)-3-propan-2-ylcyclobutan-1-amine
CID 103561357
4-N-(1-phenylpentyl)cyclohexane-1,4-diamine
CID 62319614
4-methyl-N-(1-phenylpentyl)cyclohexan-1-amine
CID 43761510
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
4-(benzylamino)piperidine-1-carboxamide
CID 43757030
N-(1-phenylbutyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195150
4-[[(1S)-1-pyridin-3-ylethyl]amino]piperidine-1-carboxamide
CID 81344365

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylbutylamino)piperidine-1-carboxamide?
The IUPAC name of 4-(1-phenylbutylamino)piperidine-1-carboxamide (CID 43785944) is 4-(1-phenylbutylamino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-phenylbutylamino)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-phenylbutylamino)piperidine-1-carboxamide is CCCC(NC1CCN(C(N)=O)CC1)c1ccccc1.
What is the InChIKey of 4-(1-phenylbutylamino)piperidine-1-carboxamide?
The InChIKey is ZLRIJJCAILDUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-6-15(13-7-4-3-5-8-13)18-14-9-11-19(12-10-14)16(17)20/h3-5,7-8,14-15,18H,2,6,9-12H2,1H3,(H2,17,20).
What are the key properties of 4-(1-phenylbutylamino)piperidine-1-carboxamide?
4-(1-phenylbutylamino)piperidine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylbutylamino)piperidine-1-carboxamide is sourced from PubChem (CID 43785944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).