3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide

C27H33N3O4 — CID 129458672

IUPAC3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccc(OC)cc4)CCCC3)CCN2C(C)=O)c1
InChIInChI=1S/C27H33N3O4/c1-19(31)30-16-15-29(18-24(30)20-7-6-8-21(17-20)25(32)28-2)26(33)27(13-4-5-14-27)22-9-11-23(34-3)12-10-22/h6-12,17,24H,4-5,13-16,18H2,1-3H3,(H,28,32)/t24-/m1/s1
InChIKeyUSGKJRYEWCPACM-XMMPIXPASA-N
MW463.58 g/mol
LogP3.30
Rot. Bonds5

About 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide

3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide (PubChem CID 129458672) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide
PubChem CID129458672
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccc(OC)cc4)CCCC3)CCN2C(C)=O)c1
InChIInChI=1S/C27H33N3O4/c1-19(31)30-16-15-29(18-24(30)20-7-6-8-21(17-20)25(32)28-2)26(33)27(13-4-5-14-27)22-9-11-23(34-3)12-10-22/h6-12,17,24H,4-5,13-16,18H2,1-3H3,(H,28,32)/t24-/m1/s1
InChIKeyUSGKJRYEWCPACM-XMMPIXPASA-N
XLogP3.30
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-acetyl-4-[4-(3-methylphenyl)oxane-4-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 129458626
3-[1-acetyl-4-(4-benzyloxane-4-carbonyl)piperazin-2-yl]-N-methylbenzamide
CID 110151965
3-[(2R)-4-acetyl-1-(cyclobutanecarbonyl)piperazin-2-yl]-N-methylbenzamide
CID 124961666
1-[(2S)-2-(2-methoxyphenyl)-4-[4-(4-methoxyphenyl)oxane-4-carbonyl]piperazin-1-yl]ethanone
CID 129460072
1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 124964723
3-[(2R)-4-acetyl-1-(2,2-diphenylacetyl)piperazin-2-yl]-N-methylbenzamide
CID 129454780
3-[(2R)-1-acetyl-4-(oxan-4-yl)piperazin-2-yl]-N-methylbenzamide
CID 124974170
[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)cyclopentyl]methanone
CID 56914468
3-[4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 110151897
3-[(2R)-4-acetyl-1-[2-[(6-methyl-3-pyridinyl)oxy]pyridine-3-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 125010756
[1-(4-chlorophenyl)cyclopentyl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121147027
[1-(3-methoxyphenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119489769

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide?
The IUPAC name of 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide (CID 129458672) is 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide is CNC(=O)c1cccc([C@H]2CN(C(=O)C3(c4ccc(OC)cc4)CCCC3)CCN2C(C)=O)c1.
What is the InChIKey of 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide?
The InChIKey is USGKJRYEWCPACM-XMMPIXPASA-N. The full InChI is InChI=1S/C27H33N3O4/c1-19(31)30-16-15-29(18-24(30)20-7-6-8-21(17-20)25(32)28-2)26(33)27(13-4-5-14-27)22-9-11-23(34-3)12-10-22/h6-12,17,24H,4-5,13-16,18H2,1-3H3,(H,28,32)/t24-/m1/s1.
What are the key properties of 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide?
3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide has a molecular weight of 463.58 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide is sourced from PubChem (CID 129458672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).