ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate

C19H27N3O3 — CID 113104471

IUPACethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(23)16-9-5-6-10-17(16)20-19(24)22-13-11-21(12-14-22)15-7-3-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,24)
InChIKeyAGSUIRAVDMRZPK-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.96
Rot. Bonds4

About ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate

ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate (PubChem CID 113104471) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
PubChem CID113104471
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nameethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H27N3O3/c1-2-25-18(23)16-9-5-6-10-17(16)20-19(24)22-13-11-21(12-14-22)15-7-3-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,24)
InChIKeyAGSUIRAVDMRZPK-UHFFFAOYSA-N
XLogP2.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]amino]benzoate
CID 113109673
ethyl 2-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111099
ethyl 2-[[4-(3-methylbutyl)piperazine-1-carbonyl]amino]benzoate
CID 113110699
ethyl 2-[[(1S,6R)-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl]amino]benzoate
CID 50952968
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
methyl 2-[(4-cycloheptylpiperazine-1-carbothioyl)amino]benzoate
CID 5172979
ethyl 2-[[1-(phenylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008681
ethyl 4-[4-[(2,3-dimethylphenyl)carbamoyl]piperazin-1-yl]piperidine-1-carboxylate
CID 113110044
ethyl 2-[[4-[(2-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113108045
ethyl 2-(cyclopentylcarbamoylamino)benzoate
CID 110755189
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
CID 31015711

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate (CID 113104471) is ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate?
The InChIKey is AGSUIRAVDMRZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-2-25-18(23)16-9-5-6-10-17(16)20-19(24)22-13-11-21(12-14-22)15-7-3-4-8-15/h5-6,9-10,15H,2-4,7-8,11-14H2,1H3,(H,20,24).
What are the key properties of ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate?
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate has a molecular weight of 345.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate is sourced from PubChem (CID 113104471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).