(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C25H31N3O5 — CID 39299821

IUPAC(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2C[C@@H](C(=O)Nc3ccccc3N3CCCCC3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C25H31N3O5/c1-31-21-14-18(15-22(32-2)24(21)33-3)28-16-17(13-23(28)29)25(30)26-19-9-5-6-10-20(19)27-11-7-4-8-12-27/h5-6,9-10,14-15,17H,4,7-8,11-13,16H2,1-3H3,(H,26,30)/t17-/m0/s1
InChIKeyYWEWNSBEWXVIFX-KRWDZBQOSA-N
MW453.54 g/mol
LogP3.69
Rot. Bonds7

About (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 39299821) has the molecular formula C25H31N3O5 and a molecular weight of 453.54 g/mol. Its IUPAC name is (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID39299821
Molecular FormulaC25H31N3O5
Molecular Weight453.54 g/mol
Exact Mass453.23
IUPAC Name(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2C[C@@H](C(=O)Nc3ccccc3N3CCCCC3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C25H31N3O5/c1-31-21-14-18(15-22(32-2)24(21)33-3)28-16-17(13-23(28)29)25(30)26-19-9-5-6-10-20(19)27-11-7-4-8-12-27/h5-6,9-10,14-15,17H,4,7-8,11-13,16H2,1-3H3,(H,26,30)/t17-/m0/s1
InChIKeyYWEWNSBEWXVIFX-KRWDZBQOSA-N
XLogP3.69
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]-4-pyrrolidin-1-ylbenzoate
CID 55579814
N-[2-(methoxymethyl)phenyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780336
N-(2-methoxyphenyl)-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189902
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799
1-(4-methylphenyl)-5-oxo-N-(2-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 112789393
N-(2,5-difluorophenyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55576754
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 51868944
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 25332412
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
N-(6-methyl-2-pyridinyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46578122

Frequently Asked Questions

What is the IUPAC name of (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 39299821) is (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2C[C@@H](C(=O)Nc3ccccc3N3CCCCC3)CC2=O)cc(OC)c1OC.
What is the InChIKey of (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YWEWNSBEWXVIFX-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H31N3O5/c1-31-21-14-18(15-22(32-2)24(21)33-3)28-16-17(13-23(28)29)25(30)26-19-9-5-6-10-20(19)27-11-7-4-8-12-27/h5-6,9-10,14-15,17H,4,7-8,11-13,16H2,1-3H3,(H,26,30)/t17-/m0/s1.
What are the key properties of (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
(3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxo-N-(2-piperidin-1-ylphenyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 39299821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).