N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide

C15H29N3O2 — CID 60963263

IUPACN-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)CNC(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-4-5-8-16-15(20)13-6-9-18(10-7-13)14(19)11-17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H,16,20)
InChIKeyMMOMJLJUAFZFLY-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.14
Rot. Bonds7

About N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide

N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide (PubChem CID 60963263) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
PubChem CID60963263
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)CNC(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-4-5-8-16-15(20)13-6-9-18(10-7-13)14(19)11-17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H,16,20)
InChIKeyMMOMJLJUAFZFLY-UHFFFAOYSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.14
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-[2-(butan-2-ylamino)acetyl]-N-butylpiperidine-4-carboxamide
CID 60963510
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-[(2S)-2-amino-4-methylpentanoyl]-N-butylpiperidine-4-carboxamide
CID 61163601
1-(1-aminocyclopentanecarbonyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119289710
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
CID 3216036
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-(2-amino-3-methylpentanoyl)-N-butylpiperidine-4-carboxamide;hydrochloride
CID 119723977

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide (CID 60963263) is N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide is CCCCNC(=O)C1CCN(C(=O)CNC(C)C)CC1.
What is the InChIKey of N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide?
The InChIKey is MMOMJLJUAFZFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-5-8-16-15(20)13-6-9-18(10-7-13)14(19)11-17-12(2)3/h12-13,17H,4-11H2,1-3H3,(H,16,20).
What are the key properties of N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide?
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 60963263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).