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

C24H37N3O2 — CID 16663172

IUPAC(5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
SMILESCC1CCCN1CCCOc1ccc(N2C(=O)CC[C@H]2CNC2CCCC2)cc1
InChIInChI=1S/C24H37N3O2/c1-19-6-4-15-26(19)16-5-17-29-23-12-9-21(10-13-23)27-22(11-14-24(27)28)18-25-20-7-2-3-8-20/h9-10,12-13,19-20,22,25H,2-8,11,14-18H2,1H3/t19?,22-/m0/s1
InChIKeyUGEOYQWKKZKFMS-BPARTEKVSA-N
MW399.58 g/mol
LogP3.97
Rot. Bonds9

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

(5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one (PubChem CID 16663172) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
PubChem CID16663172
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC Name(5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
SMILESCC1CCCN1CCCOc1ccc(N2C(=O)CC[C@H]2CNC2CCCC2)cc1
InChIInChI=1S/C24H37N3O2/c1-19-6-4-15-26(19)16-5-17-29-23-12-9-21(10-13-23)27-22(11-14-24(27)28)18-25-20-7-2-3-8-20/h9-10,12-13,19-20,22,25H,2-8,11,14-18H2,1H3/t19?,22-/m0/s1
InChIKeyUGEOYQWKKZKFMS-BPARTEKVSA-N
XLogP3.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.97
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

5-[(cyclobutylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
CID 73301810
(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
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
(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
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 (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one (CID 16663172) is (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one is CC1CCCN1CCCOc1ccc(N2C(=O)CC[C@H]2CNC2CCCC2)cc1.
What is the InChIKey of (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one?
The InChIKey is UGEOYQWKKZKFMS-BPARTEKVSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-19-6-4-15-26(19)16-5-17-29-23-12-9-21(10-13-23)27-22(11-14-24(27)28)18-25-20-7-2-3-8-20/h9-10,12-13,19-20,22,25H,2-8,11,14-18H2,1H3/t19?,22-/m0/s1.
What are the key properties of (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one?
(5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one has a molecular weight of 399.58 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 16663172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).