5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one

C23H35N3O2 — CID 73301810

IUPAC5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
SMILESCC1CCCN1CCCOc1ccc(N2C(=O)CCC2CNC2CCC2)cc1
InChIInChI=1S/C23H35N3O2/c1-18-5-3-14-25(18)15-4-16-28-22-11-8-20(9-12-22)26-21(10-13-23(26)27)17-24-19-6-2-7-19/h8-9,11-12,18-19,21,24H,2-7,10,13-17H2,1H3
InChIKeyKGXGZAHOFQFPFB-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.58
Rot. Bonds9

About 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one

5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one (PubChem CID 73301810) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
PubChem CID73301810
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
SMILESCC1CCCN1CCCOc1ccc(N2C(=O)CCC2CNC2CCC2)cc1
InChIInChI=1S/C23H35N3O2/c1-18-5-3-14-25(18)15-4-16-28-22-11-8-20(9-12-22)26-21(10-13-23(26)27)17-24-19-6-2-7-19/h8-9,11-12,18-19,21,24H,2-7,10,13-17H2,1H3
InChIKeyKGXGZAHOFQFPFB-UHFFFAOYSA-N
XLogP3.58
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
CID 16663172
(5S)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one
CID 16662600
(5S)-5-[(4-fluorophenoxy)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
CID 16662783
(5S)-5-[[cyclopropylmethyl(propyl)amino]methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
CID 16663105
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
(4R)-4-(cyclohexylmethyl)-3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-1,3-oxazolidin-2-one
CID 16662850
(5S)-3,3-dimethyl-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 67157390
1-[3-fluoro-4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 67157797
4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenoxy]piperidine
CID 123180187
1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]pyrrolidin-2-one
CID 59541716
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one
CID 57401094

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one (CID 73301810) is 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one is CC1CCCN1CCCOc1ccc(N2C(=O)CCC2CNC2CCC2)cc1.
What is the InChIKey of 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one?
The InChIKey is KGXGZAHOFQFPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18-5-3-14-25(18)15-4-16-28-22-11-8-20(9-12-22)26-21(10-13-23(26)27)17-24-19-6-2-7-19/h8-9,11-12,18-19,21,24H,2-7,10,13-17H2,1H3.
What are the key properties of 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one?
5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one has a molecular weight of 385.55 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 73301810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).