ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate

C18H25N3O3 — CID 15158260

IUPACethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCCN2c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-2-24-18(23)20-13-11-19(12-14-20)17(22)16-9-6-10-21(16)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3
InChIKeyMXXIDFFOQXWVBM-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.96
Rot. Bonds3

About ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate

ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate (PubChem CID 15158260) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
PubChem CID15158260
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Nameethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCCN2c2ccccc2)CC1
InChIInChI=1S/C18H25N3O3/c1-2-24-18(23)20-13-11-19(12-14-20)17(22)16-9-6-10-21(16)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3
InChIKeyMXXIDFFOQXWVBM-UHFFFAOYSA-N
XLogP1.96
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-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

ethyl 4-[1-(3-benzyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 42775754
ethyl 4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxylate
CID 110854043
[4-(2-phenylethyl)piperazin-1-yl]-(1-phenylpyrrolidin-2-yl)methanone
CID 15158262
ethyl 3-methyl-4-phenylpiperazine-1-carboxylate
CID 110658014
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone
CID 126812869
ethyl 4-[(3S)-2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]piperazine-1-carboxylate
CID 30747973
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
ethyl 4-[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 41024904
ethyl 4-[1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]piperazine-1-carboxylate
CID 2898676
4-(1-phenylpyrrolidine-2-carbonyl)piperazin-2-one
CID 136537548
3-methyl-1-(1-phenylpyrrolidin-2-yl)butan-1-one
CID 132966507
cyclopropyl-[(2R)-1-phenylpyrrolidin-2-yl]methanone
CID 173145770

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate (CID 15158260) is ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCCN2c2ccccc2)CC1.
What is the InChIKey of ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
The InChIKey is MXXIDFFOQXWVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-24-18(23)20-13-11-19(12-14-20)17(22)16-9-6-10-21(16)15-7-4-3-5-8-15/h3-5,7-8,16H,2,6,9-14H2,1H3.
What are the key properties of ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate?
ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate has a molecular weight of 331.42 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-phenylpyrrolidine-2-carbonyl)piperazine-1-carboxylate is sourced from PubChem (CID 15158260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).