N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide

C19H27N3O2 — CID 43969528

IUPACN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide
SMILESCc1ccc(N2CC(NC(=O)N3CCCCC3C)CC2=O)cc1C
InChIInChI=1S/C19H27N3O2/c1-13-7-8-17(10-14(13)2)22-12-16(11-18(22)23)20-19(24)21-9-5-4-6-15(21)3/h7-8,10,15-16H,4-6,9,11-12H2,1-3H3,(H,20,24)
InChIKeyOQXZBSSJKGHKIQ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.99
Rot. Bonds2

About N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide (PubChem CID 43969528) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide
PubChem CID43969528
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide
SMILESCc1ccc(N2CC(NC(=O)N3CCCCC3C)CC2=O)cc1C
InChIInChI=1S/C19H27N3O2/c1-13-7-8-17(10-14(13)2)22-12-16(11-18(22)23)20-19(24)21-9-5-4-6-15(21)3/h7-8,10,15-16H,4-6,9,11-12H2,1-3H3,(H,20,24)
InChIKeyOQXZBSSJKGHKIQ-UHFFFAOYSA-N
XLogP2.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43969537
1-cyclohexyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 43969516
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7543031
(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7543403
ethyl 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542981
ethyl 1-[[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542980
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-formylpiperazine-1-carboxamide
CID 7543749
1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-propan-2-ylurea
CID 7543094
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
4-(2-chlorophenyl)-N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 16812468
1,1-bis(2-chloroethyl)-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]urea
CID 43969513

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide (CID 43969528) is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide is Cc1ccc(N2CC(NC(=O)N3CCCCC3C)CC2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide?
The InChIKey is OQXZBSSJKGHKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-7-8-17(10-14(13)2)22-12-16(11-18(22)23)20-19(24)21-9-5-4-6-15(21)3/h7-8,10,15-16H,4-6,9,11-12H2,1-3H3,(H,20,24).
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide?
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 43969528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).