1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one

C27H39N3O4 — CID 55567142

IUPAC1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
SMILESCCCCN1C(=O)CCC(C(=O)N2CCN(C(=O)C3CCCC3)CC2)C1c1ccccc1OC
InChIInChI=1S/C27H39N3O4/c1-3-4-15-30-24(31)14-13-22(25(30)21-11-7-8-12-23(21)34-2)27(33)29-18-16-28(17-19-29)26(32)20-9-5-6-10-20/h7-8,11-12,20,22,25H,3-6,9-10,13-19H2,1-2H3
InChIKeyLCADSSPBDLMTJK-UHFFFAOYSA-N
MW469.63 g/mol
LogP3.64
Rot. Bonds7

About 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one

1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one (PubChem CID 55567142) has the molecular formula C27H39N3O4 and a molecular weight of 469.63 g/mol. Its IUPAC name is 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
PubChem CID55567142
Molecular FormulaC27H39N3O4
Molecular Weight469.63 g/mol
Exact Mass469.29
IUPAC Name1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
SMILESCCCCN1C(=O)CCC(C(=O)N2CCN(C(=O)C3CCCC3)CC2)C1c1ccccc1OC
InChIInChI=1S/C27H39N3O4/c1-3-4-15-30-24(31)14-13-22(25(30)21-11-7-8-12-23(21)34-2)27(33)29-18-16-28(17-19-29)26(32)20-9-5-6-10-20/h7-8,11-12,20,22,25H,3-6,9-10,13-19H2,1-2H3
InChIKeyLCADSSPBDLMTJK-UHFFFAOYSA-N
XLogP3.64
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.63
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one with MolForge

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Related Compounds

N-butyl-1-[1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55862308
1-butyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one
CID 24513771
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate
CID 7130706
(2R,3R)-1-butyl-N-cyclopropyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 41045510
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-prop-2-ynylpiperidine-3-carboxamide
CID 30535404
1-butyl-N-(3,5-dimethoxyphenyl)-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 24641087
2-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]acetic acid
CID 125132676
1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 46521632
(2S,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065115
(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxo-N-[3-(2-oxoazepan-1-yl)propyl]piperidine-3-carboxamide
CID 94065116
ethyl 4-[[(2S,3R)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]piperidine-1-carboxylate
CID 30544726
3-[[(2R,3S)-1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carbonyl]amino]propanoic acid
CID 125118774

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one?
The IUPAC name of 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one (CID 55567142) is 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one?
The canonical SMILES for 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one is CCCCN1C(=O)CCC(C(=O)N2CCN(C(=O)C3CCCC3)CC2)C1c1ccccc1OC.
What is the InChIKey of 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one?
The InChIKey is LCADSSPBDLMTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O4/c1-3-4-15-30-24(31)14-13-22(25(30)21-11-7-8-12-23(21)34-2)27(33)29-18-16-28(17-19-29)26(32)20-9-5-6-10-20/h7-8,11-12,20,22,25H,3-6,9-10,13-19H2,1-2H3.
What are the key properties of 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one?
1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one has a molecular weight of 469.63 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-6-(2-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 55567142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).