methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate

C19H26N2O3 — CID 44783614

IUPACmethyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2ccccc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C19H26N2O3/c1-24-19(23)17-14-20(13-15-7-3-2-4-8-15)11-12-21(17)18(22)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3
InChIKeyBFWWVNRCFJYHJP-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.06
Rot. Bonds4

About methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate

methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate (PubChem CID 44783614) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
PubChem CID44783614
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namemethyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2ccccc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C19H26N2O3/c1-24-19(23)17-14-20(13-15-7-3-2-4-8-15)11-12-21(17)18(22)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3
InChIKeyBFWWVNRCFJYHJP-UHFFFAOYSA-N
XLogP2.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783658
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-benzyl-3-(1-tritylaziridine-2-carbonyl)imidazolidine-4-carboxylate
CID 175300751
methyl 1-(1-benzylpiperidin-3-yl)azetidine-2-carboxylate
CID 115937759
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783659
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
methyl (3S,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 54043157
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 3-benzyl-5-(cyclohexanecarbonyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 74443179
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257

Frequently Asked Questions

What is the IUPAC name of methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate (CID 44783614) is methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate is COC(=O)C1CN(Cc2ccccc2)CCN1C(=O)C1CCCC1.
What is the InChIKey of methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The InChIKey is BFWWVNRCFJYHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-24-19(23)17-14-20(13-15-7-3-2-4-8-15)11-12-21(17)18(22)16-9-5-6-10-16/h2-4,7-8,16-17H,5-6,9-14H2,1H3.
What are the key properties of methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate?
methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 44783614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).