4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one

C18H32N4O — CID 126892702

IUPAC4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(CN2CC(N3CCN(C4CCCCC4)CC3)C2)CN1
InChIInChI=1S/C18H32N4O/c23-18-10-15(11-19-18)12-20-13-17(14-20)22-8-6-21(7-9-22)16-4-2-1-3-5-16/h15-17H,1-14H2,(H,19,23)
InChIKeyUFDQROHSHXQVQY-UHFFFAOYSA-N
MW320.48 g/mol
LogP0.76
Rot. Bonds4

About 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one

4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one (PubChem CID 126892702) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
PubChem CID126892702
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
SMILESO=C1CC(CN2CC(N3CCN(C4CCCCC4)CC3)C2)CN1
InChIInChI=1S/C18H32N4O/c23-18-10-15(11-19-18)12-20-13-17(14-20)22-8-6-21(7-9-22)16-4-2-1-3-5-16/h15-17H,1-14H2,(H,19,23)
InChIKeyUFDQROHSHXQVQY-UHFFFAOYSA-N
XLogP0.76
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one 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

7-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]azepan-2-one
CID 126892638
4-[[(3R)-5-oxopyrrolidin-3-yl]methyl]piperazin-2-one
CID 129355482
4-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyrrolidin-2-one
CID 130871238
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one
CID 126901528
2-(cyclopropylmethyl)-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-6-one
CID 141276445
2-(cyclopentylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79038048
(4S)-4-(2-fluoroethyl)pyrrolidin-2-one
CID 175917688
3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-d][1,4]diazepin-2-one
CID 565959
(1R,6R)-10-(cyclopropylmethyl)-3,10-diazabicyclo[4.3.1]decan-4-one
CID 98111580
2-[(4-ethylcyclohexyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79930234
1-cycloheptyl-1,4-diazocan-5-one
CID 117015433
3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121184004

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one (CID 126892702) is 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one is O=C1CC(CN2CC(N3CCN(C4CCCCC4)CC3)C2)CN1.
What is the InChIKey of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one?
The InChIKey is UFDQROHSHXQVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c23-18-10-15(11-19-18)12-20-13-17(14-20)22-8-6-21(7-9-22)16-4-2-1-3-5-16/h15-17H,1-14H2,(H,19,23).
What are the key properties of 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one?
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one has a molecular weight of 320.48 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 126892702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).