1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one

C22H34N2O2 — CID 69107152

IUPAC1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(c2ccc(OCCCN3CCCCC3C)cc2)C1
InChIInChI=1S/C22H34N2O2/c1-3-7-19-16-22(25)24(17-19)20-9-11-21(12-10-20)26-15-6-14-23-13-5-4-8-18(23)2/h9-12,18-19H,3-8,13-17H2,1-2H3
InChIKeyVDPRGCDSHIBEGS-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.48
Rot. Bonds8

About 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one

1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one (PubChem CID 69107152) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one
PubChem CID69107152
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one
SMILESCCCC1CC(=O)N(c2ccc(OCCCN3CCCCC3C)cc2)C1
InChIInChI=1S/C22H34N2O2/c1-3-7-19-16-22(25)24(17-19)20-9-11-21(12-10-20)26-15-6-14-23-13-5-4-8-18(23)2/h9-12,18-19H,3-8,13-17H2,1-2H3
InChIKeyVDPRGCDSHIBEGS-UHFFFAOYSA-N
XLogP4.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(4-cyclopentylpiperazin-1-yl)ethyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
CID 16662450
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
(5S)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-5-(pyrrolidin-1-ylmethyl)pyrrolidin-2-one
CID 16662600
1-[1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrazol-4-yl]piperidin-2-one
CID 59541730
(5S)-5-[(cyclopentylamino)methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
CID 16663172
N-[2-(4-bromophenoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 60696322
(5S)-5-[[cyclopropylmethyl(propyl)amino]methyl]-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]pyrrolidin-2-one
CID 16663105
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 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one?
The IUPAC name of 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one (CID 69107152) is 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one.
What is the SMILES notation for 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one?
The canonical SMILES for 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one is CCCC1CC(=O)N(c2ccc(OCCCN3CCCCC3C)cc2)C1.
What is the InChIKey of 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one?
The InChIKey is VDPRGCDSHIBEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-3-7-19-16-22(25)24(17-19)20-9-11-21(12-10-20)26-15-6-14-23-13-5-4-8-18(23)2/h9-12,18-19H,3-8,13-17H2,1-2H3.
What are the key properties of 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one?
1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one has a molecular weight of 358.53 g/mol, XLogP of 4.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]-4-propylpyrrolidin-2-one is sourced from PubChem (CID 69107152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).