4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide

C21H33N3O2 — CID 23723949

IUPAC4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-3-4-14-22-21(26)24-15-12-18(13-16-24)10-11-20(25)23(2)17-19-8-6-5-7-9-19/h5-9,18H,3-4,10-17H2,1-2H3,(H,22,26)
InChIKeyIXFMZRQGADUTKA-UHFFFAOYSA-N
MW359.51 g/mol
LogP3.65
Rot. Bonds8

About 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide

4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide (PubChem CID 23723949) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide
PubChem CID23723949
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C21H33N3O2/c1-3-4-14-22-21(26)24-15-12-18(13-16-24)10-11-20(25)23(2)17-19-8-6-5-7-9-19/h5-9,18H,3-4,10-17H2,1-2H3,(H,22,26)
InChIKeyIXFMZRQGADUTKA-UHFFFAOYSA-N
XLogP3.65
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide?
The IUPAC name of 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide (CID 23723949) is 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide is CCCCNC(=O)N1CCC(CCC(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide?
The InChIKey is IXFMZRQGADUTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-4-14-22-21(26)24-15-12-18(13-16-24)10-11-20(25)23(2)17-19-8-6-5-7-9-19/h5-9,18H,3-4,10-17H2,1-2H3,(H,22,26).
What are the key properties of 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide?
4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-butylpiperidine-1-carboxamide is sourced from PubChem (CID 23723949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).