N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide

C18H26N4O2 — CID 7543031

IUPACN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
SMILESCc1ccc(N2C[C@H](NC(=O)N3CCN(C)CC3)CC2=O)cc1C
InChIInChI=1S/C18H26N4O2/c1-13-4-5-16(10-14(13)2)22-12-15(11-17(22)23)19-18(24)21-8-6-20(3)7-9-21/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,19,24)/t15-/m1/s1
InChIKeyHFVVZVMVBWUHII-OAHLLOKOSA-N
MW330.43 g/mol
LogP1.37
Rot. Bonds2

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

N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide (PubChem CID 7543031) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
PubChem CID7543031
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
SMILESCc1ccc(N2C[C@H](NC(=O)N3CCN(C)CC3)CC2=O)cc1C
InChIInChI=1S/C18H26N4O2/c1-13-4-5-16(10-14(13)2)22-12-15(11-17(22)23)19-18(24)21-8-6-20(3)7-9-21/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,19,24)/t15-/m1/s1
InChIKeyHFVVZVMVBWUHII-OAHLLOKOSA-N
XLogP1.37
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-formylpiperazine-1-carboxamide
CID 7543749
4-methyl-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 43969378
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-phenylpiperazine-1-carboxamide
CID 43969541
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7244374
4-(2-chlorophenyl)-N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 16812468
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-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide
CID 7215126
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 7543396
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 43970862
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methylpiperidine-1-carboxamide
CID 43969528
(2R)-N-[(3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-2,3-dihydroindole-1-carboxamide
CID 7543403

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide (CID 7543031) is N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide is Cc1ccc(N2C[C@H](NC(=O)N3CCN(C)CC3)CC2=O)cc1C.
What is the InChIKey of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide?
The InChIKey is HFVVZVMVBWUHII-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-4-5-16(10-14(13)2)22-12-15(11-17(22)23)19-18(24)21-8-6-20(3)7-9-21/h4-5,10,15H,6-9,11-12H2,1-3H3,(H,19,24)/t15-/m1/s1.
What are the key properties of N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide?
N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 7543031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).