1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

C25H31N3O3 — CID 55559017

IUPAC1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3ccc(CN4CCCCC4)cc3)CC2=O)c1
InChIInChI=1S/C25H31N3O3/c1-31-23-7-5-6-22(15-23)28-18-21(14-24(28)29)25(30)26-16-19-8-10-20(11-9-19)17-27-12-3-2-4-13-27/h5-11,15,21H,2-4,12-14,16-18H2,1H3,(H,26,30)
InChIKeySNZJPRZGXDVGOQ-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.35
Rot. Bonds7

About 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 55559017) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
PubChem CID55559017
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)NCc3ccc(CN4CCCCC4)cc3)CC2=O)c1
InChIInChI=1S/C25H31N3O3/c1-31-23-7-5-6-22(15-23)28-18-21(14-24(28)29)25(30)26-16-19-8-10-20(11-9-19)17-27-12-3-2-4-13-27/h5-11,15,21H,2-4,12-14,16-18H2,1H3,(H,26,30)
InChIKeySNZJPRZGXDVGOQ-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(diethylaminomethyl)phenyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55559152
(3S)-1-(3-methoxyphenyl)-5-oxo-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 51933605
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55800985
N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650892
(3R)-N-[2-(cyclopropanecarbonylamino)ethyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29128274
1-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 15991912
(3R)-1-(3-methylphenyl)-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 28892382
N-benzyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2964408
N-(2-cyclohexylethyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46548075
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46433351
(3S)-1-(3-chloro-4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 29094847
(3S)-1-(4-hydroxyphenyl)-N-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 7248206

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide (CID 55559017) is 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)NCc3ccc(CN4CCCCC4)cc3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is SNZJPRZGXDVGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-31-23-7-5-6-22(15-23)28-18-21(14-24(28)29)25(30)26-16-19-8-10-20(11-9-19)17-27-12-3-2-4-13-27/h5-11,15,21H,2-4,12-14,16-18H2,1H3,(H,26,30).
What are the key properties of 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-oxo-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55559017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).