N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C24H29N3O3 — CID 86966191

IUPACN-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CCCC(NC(=O)C3CCN(c4ccc(C)cc4)C3=O)C2)c1
InChIInChI=1S/C24H29N3O3/c1-17-8-10-19(11-9-17)27-14-12-22(24(27)29)23(28)25-18-5-4-13-26(16-18)20-6-3-7-21(15-20)30-2/h3,6-11,15,18,22H,4-5,12-14,16H2,1-2H3,(H,25,28)
InChIKeyXJFPCCRIPMSPTI-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.14
Rot. Bonds5

About N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 86966191) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID86966191
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CCCC(NC(=O)C3CCN(c4ccc(C)cc4)C3=O)C2)c1
InChIInChI=1S/C24H29N3O3/c1-17-8-10-19(11-9-17)27-14-12-22(24(27)29)23(28)25-18-5-4-13-26(16-18)20-6-3-7-21(15-20)30-2/h3,6-11,15,18,22H,4-5,12-14,16H2,1-2H3,(H,25,28)
InChIKeyXJFPCCRIPMSPTI-UHFFFAOYSA-N
XLogP3.14
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]cyclopropanecarboxamide
CID 53318242
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119884210
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 136538572
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
(2S,4S)-N-[1-(3-methoxyphenyl)piperidin-3-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120636997
(3S)-N-tert-butyl-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 92991023
3-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 119884246
(2S,3R)-2-ethyl-3-hydroxy-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]butanamide
CID 124861385
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
(3S)-N-[(2R)-butan-2-yl]-1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxamide
CID 93330707
N-[1-(3-methoxyphenyl)piperidin-3-yl]methanesulfonamide
CID 56791986

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 86966191) is N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is COc1cccc(N2CCCC(NC(=O)C3CCN(c4ccc(C)cc4)C3=O)C2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is XJFPCCRIPMSPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-17-8-10-19(11-9-17)27-14-12-22(24(27)29)23(28)25-18-5-4-13-26(16-18)20-6-3-7-21(15-20)30-2/h3,6-11,15,18,22H,4-5,12-14,16H2,1-2H3,(H,25,28).
What are the key properties of N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)piperidin-3-yl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86966191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).