1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride

C21H32ClN3O2 — CID 120914014

IUPAC1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1Cc1ccc(CNC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C21H31N3O2.ClH/c25-21-5-2-11-24(21)14-17-8-6-16(7-9-17)13-23-19-4-1-3-18(19)20-15-26-12-10-22-20;/h6-9,18-20,22-23H,1-5,10-15H2;1H
InChIKeyODDKEHPMDQCUMI-UHFFFAOYSA-N
MW393.96 g/mol
LogP2.48
Rot. Bonds6

About 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride

1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (PubChem CID 120914014) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
PubChem CID120914014
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
SMILESCl.O=C1CCCN1Cc1ccc(CNC2CCCC2C2COCCN2)cc1
InChIInChI=1S/C21H31N3O2.ClH/c25-21-5-2-11-24(21)14-17-8-6-16(7-9-17)13-23-19-4-1-3-18(19)20-15-26-12-10-22-20;/h6-9,18-20,22-23H,1-5,10-15H2;1H
InChIKeyODDKEHPMDQCUMI-UHFFFAOYSA-N
XLogP2.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride with MolForge

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Related Compounds

1-[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]pyrrolidin-2-one
CID 120914835
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120915590
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915033
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913965
2-morpholin-3-yl-N-[[4-(phenoxymethyl)phenyl]methyl]cyclopentan-1-amine
CID 120916161
N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120914320
N-[(4-fluoro-3-methylphenyl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120914901
[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methanol
CID 120914335
N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916408
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120915209
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-morpholin-3-ylcyclopentan-1-amine
CID 120913891
N-[3-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 120914967

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The IUPAC name of 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride (CID 120914014) is 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The canonical SMILES for 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is Cl.O=C1CCCN1Cc1ccc(CNC2CCCC2C2COCCN2)cc1.
What is the InChIKey of 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
The InChIKey is ODDKEHPMDQCUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c25-21-5-2-11-24(21)14-17-8-6-16(7-9-17)13-23-19-4-1-3-18(19)20-15-26-12-10-22-20;/h6-9,18-20,22-23H,1-5,10-15H2;1H.
What are the key properties of 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride?
1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[[(2-morpholin-3-ylcyclopentyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 120914014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).