1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide

C16H31N3O2 — CID 60963510

IUPAC1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)CNC(C)CC)CC1
InChIInChI=1S/C16H31N3O2/c1-4-6-9-17-16(21)14-7-10-19(11-8-14)15(20)12-18-13(3)5-2/h13-14,18H,4-12H2,1-3H3,(H,17,21)
InChIKeyXACYEXNECOJVNI-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds8

About 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide

1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide (PubChem CID 60963510) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
PubChem CID60963510
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)CNC(C)CC)CC1
InChIInChI=1S/C16H31N3O2/c1-4-6-9-17-16(21)14-7-10-19(11-8-14)15(20)12-18-13(3)5-2/h13-14,18H,4-12H2,1-3H3,(H,17,21)
InChIKeyXACYEXNECOJVNI-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 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 ≤ 51.53
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

N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-(3-hydroxypropyl)-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60953607
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-butyl-1-propan-2-ylpiperidine-4-carboxamide;ethane
CID 169158864
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977
1-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
1-acetyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 43392702
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
1-[(2S)-2-aminopropanoyl]-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 93376438
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591

Frequently Asked Questions

What is the IUPAC name of 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide (CID 60963510) is 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)CNC(C)CC)CC1.
What is the InChIKey of 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide?
The InChIKey is XACYEXNECOJVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-6-9-17-16(21)14-7-10-19(11-8-14)15(20)12-18-13(3)5-2/h13-14,18H,4-12H2,1-3H3,(H,17,21).
What are the key properties of 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide?
1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide is sourced from PubChem (CID 60963510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).