methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate

C18H25N3O3 — CID 113104537

IUPACmethyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-24-17(22)14-6-8-16(9-7-14)20-10-12-21(13-11-20)18(23)19-15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3,(H,19,23)
InChIKeyOSYJFKNVMPHBRB-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.25
Rot. Bonds3

About methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate

methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate (PubChem CID 113104537) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
PubChem CID113104537
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Namemethyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate
SMILESCOC(=O)c1ccc(N2CCN(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-24-17(22)14-6-8-16(9-7-14)20-10-12-21(13-11-20)18(23)19-15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3,(H,19,23)
InChIKeyOSYJFKNVMPHBRB-UHFFFAOYSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(cycloheptylcarbamoyl)piperazin-1-yl]benzoate
CID 113110616
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cycloheptyl-4-(4-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110605
4-(4-aminophenyl)-N-cyclobutylpiperazine-1-carboxamide
CID 116653618
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
N-cyclohexyl-4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carboxamide
CID 110749250
methyl 4-[4-[(4-methoxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113631
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(4-acetylphenyl)-N-(2-methylcyclohexyl)piperazine-1-carboxamide
CID 42928323

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate?
The IUPAC name of methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate (CID 113104537) is methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate.
What is the SMILES notation for methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate?
The canonical SMILES for methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate is COC(=O)c1ccc(N2CCN(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate?
The InChIKey is OSYJFKNVMPHBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-17(22)14-6-8-16(9-7-14)20-10-12-21(13-11-20)18(23)19-15-4-2-3-5-15/h6-9,15H,2-5,10-13H2,1H3,(H,19,23).
What are the key properties of methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate?
methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate has a molecular weight of 331.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(cyclopentylcarbamoyl)piperazin-1-yl]benzoate is sourced from PubChem (CID 113104537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).