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

C19H24N2O4 — CID 44783658

IUPACmethyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccccc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C19H24N2O4/c1-25-19(24)16-13-20(17(22)14-7-3-2-4-8-14)11-12-21(16)18(23)15-9-5-6-10-15/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKeyFSBQIOSJBFLWKU-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.70
Rot. Bonds3

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

methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate (PubChem CID 44783658) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
PubChem CID44783658
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Namemethyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccccc2)CCN1C(=O)C1CCCC1
InChIInChI=1S/C19H24N2O4/c1-25-19(24)16-13-20(17(22)14-7-3-2-4-8-14)11-12-21(16)18(23)15-9-5-6-10-15/h2-4,7-8,15-16H,5-6,9-13H2,1H3
InChIKeyFSBQIOSJBFLWKU-UHFFFAOYSA-N
XLogP1.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783659
methyl 4-benzyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783614
methyl (2S)-1-(piperidine-4-carbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 163173658
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl 2-[1-(4-methylbenzoyl)piperidine-3-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 78861318
methyl (2R)-1-(benzenesulfonyl)-4-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 163144259
methyl 4-(4-fluorobenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783641
methyl 4-(4-methoxybenzoyl)-1-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 78454993
dimethyl (3S,6S)-1,2-dibenzoyldiazinane-3,6-dicarboxylate
CID 10341495
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl (2S)-4-benzoylpiperazin-1-ium-2-carboxylate
CID 7161529
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310

Frequently Asked Questions

What is the IUPAC name of methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The IUPAC name of methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate (CID 44783658) is methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate is COC(=O)C1CN(C(=O)c2ccccc2)CCN1C(=O)C1CCCC1.
What is the InChIKey of methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate?
The InChIKey is FSBQIOSJBFLWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-25-19(24)16-13-20(17(22)14-7-3-2-4-8-14)11-12-21(16)18(23)15-9-5-6-10-15/h2-4,7-8,15-16H,5-6,9-13H2,1H3.
What are the key properties of methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate?
methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 44783658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).