1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide

C18H25N3O3 — CID 60546086

IUPAC1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
SMILESCCCC(=O)N1CCCCC1C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C18H25N3O3/c1-3-6-16(22)21-12-5-4-7-15(21)18(24)20-14-10-8-13(9-11-14)17(23)19-2/h8-11,15H,3-7,12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyBAPOAPBVKVBRBS-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.17
Rot. Bonds5

About 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide

1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide (PubChem CID 60546086) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
PubChem CID60546086
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide
SMILESCCCC(=O)N1CCCCC1C(=O)Nc1ccc(C(=O)NC)cc1
InChIInChI=1S/C18H25N3O3/c1-3-6-16(22)21-12-5-4-7-15(21)18(24)20-14-10-8-13(9-11-14)17(23)19-2/h8-11,15H,3-7,12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyBAPOAPBVKVBRBS-UHFFFAOYSA-N
XLogP2.17
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
3-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119252262
2-methyl-2-[4-[(1-propanoylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 119254003
5-[(1-butanoylpyrrolidine-2-carbonyl)amino]-2-methylbenzoic acid
CID 119255170
N-[4-(methylcarbamoyl)phenyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 18093594
1-butanoyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 60531568
ethyl 3-[(1-butanoylpyrrolidine-2-carbonyl)amino]benzoate
CID 60528914
3-[[(2S)-1-butanoylpyrrolidine-2-carbonyl]amino]-4-fluorobenzoic acid
CID 129414607
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 55965832
2-[[3-[(1-butanoylpiperidine-2-carbonyl)amino]phenyl]methylsulfanyl]acetic acid
CID 119240743
(2S)-1-butanoyl-N-(2-chloro-5-fluorophenyl)piperidine-2-carboxamide
CID 124505918

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide (CID 60546086) is 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide is CCCC(=O)N1CCCCC1C(=O)Nc1ccc(C(=O)NC)cc1.
What is the InChIKey of 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide?
The InChIKey is BAPOAPBVKVBRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-6-16(22)21-12-5-4-7-15(21)18(24)20-14-10-8-13(9-11-14)17(23)19-2/h8-11,15H,3-7,12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide?
1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[4-(methylcarbamoyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 60546086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).