1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide

C16H31N3O2 — CID 61163601

IUPAC1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-4-5-8-18-15(20)13-6-9-19(10-7-13)16(21)14(17)11-12(2)3/h12-14H,4-11,17H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyRPODREJTFRKTPI-AWEZNQCLSA-N
MW297.44 g/mol
LogP1.51
Rot. Bonds7

About 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide

1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide (PubChem CID 61163601) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
PubChem CID61163601
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-4-5-8-18-15(20)13-6-9-19(10-7-13)16(21)14(17)11-12(2)3/h12-14H,4-11,17H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyRPODREJTFRKTPI-AWEZNQCLSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-2-amino-4-methylpentanoyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 119720899
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
1-[2-amino-2-(4-methylphenyl)acetyl]-N-butylpiperidine-4-carboxamide
CID 120667354
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
(2S)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoic acid
CID 908678
1-[(2S)-2-amino-4-methylpentanoyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759325
1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
CID 60963510
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide (CID 61163601) is 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)[C@@H](N)CC(C)C)CC1.
What is the InChIKey of 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide?
The InChIKey is RPODREJTFRKTPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-5-8-18-15(20)13-6-9-19(10-7-13)16(21)14(17)11-12(2)3/h12-14H,4-11,17H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide?
1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 61163601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).