1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea

C18H32N4O2 — CID 97080337

IUPAC1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCC1)N[C@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C18H32N4O2/c23-17-13-15(14-22(17)16-7-2-1-3-8-16)20-18(24)19-9-6-12-21-10-4-5-11-21/h15-16H,1-14H2,(H2,19,20,24)/t15-/m0/s1
InChIKeyCOZFZRZSSVDLBM-HNNXBMFYSA-N
MW336.48 g/mol
LogP1.71
Rot. Bonds6

About 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea

1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea (PubChem CID 97080337) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
PubChem CID97080337
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
SMILESO=C(NCCCN1CCCC1)N[C@H]1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C18H32N4O2/c23-17-13-15(14-22(17)16-7-2-1-3-8-16)20-18(24)19-9-6-12-21-10-4-5-11-21/h15-16H,1-14H2,(H2,19,20,24)/t15-/m0/s1
InChIKeyCOZFZRZSSVDLBM-HNNXBMFYSA-N
XLogP1.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 71914618
1-butyl-3-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]urea
CID 25281458
N-[3-(azepan-1-yl)propyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 3244152
(3R)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030812
(3S)-1-cyclopentyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 7030810
1-[3-(azepan-1-yl)propyl]-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513564
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
N-(1-cycloheptyl-5-oxopyrrolidin-3-yl)-2-piperidin-1-ylacetamide
CID 45251324
1-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 7513558
1-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 7548425
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
ethyl 3-[(1-cycloheptyl-5-oxopyrrolidin-3-yl)carbamoylamino]propanoate
CID 45246068

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The IUPAC name of 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea (CID 97080337) is 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea.
What is the SMILES notation for 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The canonical SMILES for 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea is O=C(NCCCN1CCCC1)N[C@H]1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea?
The InChIKey is COZFZRZSSVDLBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H32N4O2/c23-17-13-15(14-22(17)16-7-2-1-3-8-16)20-18(24)19-9-6-12-21-10-4-5-11-21/h15-16H,1-14H2,(H2,19,20,24)/t15-/m0/s1.
What are the key properties of 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea?
1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea has a molecular weight of 336.48 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea is sourced from PubChem (CID 97080337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).