1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide

C23H35N3O2 — CID 131934804

IUPAC1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2cccc(CN3CCCCC3)c2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(2)15-22(27)26-13-9-20(10-14-26)23(28)24-21-8-6-7-19(16-21)17-25-11-4-3-5-12-25/h6-8,16,18,20H,3-5,9-15,17H2,1-2H3,(H,24,28)
InChIKeyLIHIIXQHPRHJHX-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.90
Rot. Bonds6

About 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide

1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide (PubChem CID 131934804) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide
PubChem CID131934804
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)CC(=O)N1CCC(C(=O)Nc2cccc(CN3CCCCC3)c2)CC1
InChIInChI=1S/C23H35N3O2/c1-18(2)15-22(27)26-13-9-20(10-14-26)23(28)24-21-8-6-7-19(16-21)17-25-11-4-3-5-12-25/h6-8,16,18,20H,3-5,9-15,17H2,1-2H3,(H,24,28)
InChIKeyLIHIIXQHPRHJHX-UHFFFAOYSA-N
XLogP3.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylbutanoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113006115
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
N-(2,6-diethylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113006871
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
1-(cyclopropanecarbonyl)-N-(3-ethylphenyl)piperidine-4-carboxamide
CID 26880034
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
N-(2-chlorophenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007102
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
CID 71972865
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 42678380
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide (CID 131934804) is 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide is CC(C)CC(=O)N1CCC(C(=O)Nc2cccc(CN3CCCCC3)c2)CC1.
What is the InChIKey of 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is LIHIIXQHPRHJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18(2)15-22(27)26-13-9-20(10-14-26)23(28)24-21-8-6-7-19(16-21)17-25-11-4-3-5-12-25/h6-8,16,18,20H,3-5,9-15,17H2,1-2H3,(H,24,28).
What are the key properties of 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide?
1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 131934804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).