N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide

C18H27N3O2 — CID 132650711

IUPACN-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)C1CCCN(C)C1
InChIInChI=1S/C18H27N3O2/c1-3-4-11-19-18(23)15-9-5-6-10-16(15)20-17(22)14-8-7-12-21(2)13-14/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyXHSMOMBCUKSPNH-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide

N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide (PubChem CID 132650711) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
PubChem CID132650711
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)C1CCCN(C)C1
InChIInChI=1S/C18H27N3O2/c1-3-4-11-19-18(23)15-9-5-6-10-16(15)20-17(22)14-8-7-12-21(2)13-14/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyXHSMOMBCUKSPNH-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.50
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

(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
N-[2-(butylcarbamoyl)phenyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43925218
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 125043020
(3S)-1-ethylsulfonyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 125042744
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
N-[2-(butylcarbamoyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100651538
1-[(4-fluorophenyl)methyl]-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43925204
1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688
(3R)-1-(5-methylthiophen-2-yl)sulfonyl-N-[2-(propylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 25492914
1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide (CID 132650711) is N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide is CCCCNC(=O)c1ccccc1NC(=O)C1CCCN(C)C1.
What is the InChIKey of N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is XHSMOMBCUKSPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-4-11-19-18(23)15-9-5-6-10-16(15)20-17(22)14-8-7-12-21(2)13-14/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide?
N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 132650711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).