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

C20H29N3O3 — CID 43969537

IUPACN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1ccc(N2CC(NC(=O)N3CCCCC3CCO)CC2=O)cc1C
InChIInChI=1S/C20H29N3O3/c1-14-6-7-18(11-15(14)2)23-13-16(12-19(23)25)21-20(26)22-9-4-3-5-17(22)8-10-24/h6-7,11,16-17,24H,3-5,8-10,12-13H2,1-2H3,(H,21,26)
InChIKeyROOFPNCFTKLQPU-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.36
Rot. Bonds4

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

N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 43969537) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
PubChem CID43969537
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
SMILESCc1ccc(N2CC(NC(=O)N3CCCCC3CCO)CC2=O)cc1C
InChIInChI=1S/C20H29N3O3/c1-14-6-7-18(11-15(14)2)23-13-16(12-19(23)25)21-20(26)22-9-4-3-5-17(22)8-10-24/h6-7,11,16-17,24H,3-5,8-10,12-13H2,1-2H3,(H,21,26)
InChIKeyROOFPNCFTKLQPU-UHFFFAOYSA-N
XLogP2.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 43970748
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide
CID 43969528
(2R)-2-(2-hydroxyethyl)-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513267
(2R)-N-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 7552116
(2R)-2-(2-hydroxyethyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7544903
1-cyclohexyl-3-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-1-ethylurea
CID 43969516
(2S)-N-[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-ethylpiperidine-1-carboxamide
CID 7548618
(2R)-2-ethyl-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7547783
(2S)-2-ethyl-N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]piperidine-1-carboxamide
CID 7513252
(2R)-2-ethyl-N-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]piperidine-1-carboxamide
CID 7546843
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7543031
ethyl 1-[[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]carbamoyl]piperidine-4-carboxylate
CID 7542981

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide (CID 43969537) is N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is Cc1ccc(N2CC(NC(=O)N3CCCCC3CCO)CC2=O)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is ROOFPNCFTKLQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14-6-7-18(11-15(14)2)23-13-16(12-19(23)25)21-20(26)22-9-4-3-5-17(22)8-10-24/h6-7,11,16-17,24H,3-5,8-10,12-13H2,1-2H3,(H,21,26).
What are the key properties of N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide?
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-(2-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 43969537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).