benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate

C18H24N2O3 — CID 91277522

IUPACbenzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCNC(C2CCCCC2)C1=O
InChIInChI=1S/C18H24N2O3/c21-17-16(15-9-5-2-6-10-15)19-11-12-20(17)18(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,19H,2,5-6,9-13H2
InChIKeyQQOWQLWYGUEADH-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.70
Rot. Bonds3

About benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate

benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate (PubChem CID 91277522) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate
PubChem CID91277522
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namebenzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCNC(C2CCCCC2)C1=O
InChIInChI=1S/C18H24N2O3/c21-17-16(15-9-5-2-6-10-15)19-11-12-20(17)18(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,19H,2,5-6,9-13H2
InChIKeyQQOWQLWYGUEADH-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 3-cyclohexyl-2-oxopiperazine-1-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

1-O-benzyl 3-O-methyl 2-oxopiperidine-1,3-dicarboxylate
CID 54081936
(3S)-2-oxo-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 172842635
benzyl 3-(2-chloroethyl)-2-oxopiperidine-1-carboxylate
CID 172812807
benzyl 4-pyrrolidin-2-ylpiperidine-1-carboxylate
CID 175106177
1-O-benzyl 3-O-ethyl 2-oxopyrrolidine-1,3-dicarboxylate
CID 70453490
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
benzyl 5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxaline-1-carboxylate
CID 140713534
benzyl piperidine-1-carboxylate
CID 158057698
(2S,3R)-3-cyclohexyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 58051374
benzyl (3aR,8aS)-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[2,3-c]azepine-1-carboxylate
CID 67355838
[2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-carbonyl] (2R)-pyrrolidine-2-carboxylate
CID 88676033
benzyl (4R)-4-methyl-2-oxopiperidine-1-carboxylate
CID 22872591

Frequently Asked Questions

What is the IUPAC name of benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate?
The IUPAC name of benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate (CID 91277522) is benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate.
What is the SMILES notation for benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate?
The canonical SMILES for benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCNC(C2CCCCC2)C1=O.
What is the InChIKey of benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate?
The InChIKey is QQOWQLWYGUEADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c21-17-16(15-9-5-2-6-10-15)19-11-12-20(17)18(22)23-13-14-7-3-1-4-8-14/h1,3-4,7-8,15-16,19H,2,5-6,9-13H2.
What are the key properties of benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate?
benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-cyclohexyl-2-oxopiperazine-1-carboxylate is sourced from PubChem (CID 91277522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).