1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide

C16H31N3O2 — CID 60963512

IUPAC1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(N)CCCC)CC1
InChIInChI=1S/C16H31N3O2/c1-3-5-7-14(17)16(21)19-11-8-13(9-12-19)15(20)18-10-6-4-2/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyMXALKEXJMKJJSA-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.66
Rot. Bonds8

About 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide

1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide (PubChem CID 60963512) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
PubChem CID60963512
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)C(N)CCCC)CC1
InChIInChI=1S/C16H31N3O2/c1-3-5-7-14(17)16(21)19-11-8-13(9-12-19)15(20)18-10-6-4-2/h13-14H,3-12,17H2,1-2H3,(H,18,20)
InChIKeyMXALKEXJMKJJSA-UHFFFAOYSA-N
XLogP1.66
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-aminohexanoyl)-N-butylpiperidine-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

1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
CID 120667354
4-amino-5-[4-(ethylcarbamoyl)piperidin-1-yl]-5-oxopentanoic acid
CID 64890678
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720899
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide (CID 60963512) is 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)C(N)CCCC)CC1.
What is the InChIKey of 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide?
The InChIKey is MXALKEXJMKJJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-5-7-14(17)16(21)19-11-8-13(9-12-19)15(20)18-10-6-4-2/h13-14H,3-12,17H2,1-2H3,(H,18,20).
What are the key properties of 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide?
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 60963512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).