1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one

C18H25N3O2 — CID 119564568

IUPAC1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC1CN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC(C)N1
InChIInChI=1S/C18H25N3O2/c1-13-10-21(11-14(2)19-13)18(23)16-7-5-15(6-8-16)12-20-9-3-4-17(20)22/h5-8,13-14,19H,3-4,9-12H2,1-2H3
InChIKeyGRWDTMRVLOCQQQ-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.63
Rot. Bonds3

About 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one

1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one (PubChem CID 119564568) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
PubChem CID119564568
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
SMILESCC1CN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC(C)N1
InChIInChI=1S/C18H25N3O2/c1-13-10-21(11-14(2)19-13)18(23)16-7-5-15(6-8-16)12-20-9-3-4-17(20)22/h5-8,13-14,19H,3-4,9-12H2,1-2H3
InChIKeyGRWDTMRVLOCQQQ-UHFFFAOYSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124589864
1-[[4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 120658389
(3S)-3-methyl-1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]pyrrolidine-3-carboxylic acid
CID 124695626
1-[[4-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one;hydrochloride
CID 119595515
1-[[4-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 55555950
ethyl 1-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]piperidine-3-carboxylate
CID 55377333
1-[[4-[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 146101860
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 124590225
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
1-[[4-[(2S)-2-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 124595392
6-[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137353
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one (CID 119564568) is 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one is CC1CN(C(=O)c2ccc(CN3CCCC3=O)cc2)CC(C)N1.
What is the InChIKey of 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
The InChIKey is GRWDTMRVLOCQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-10-21(11-14(2)19-13)18(23)16-7-5-15(6-8-16)12-20-9-3-4-17(20)22/h5-8,13-14,19H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one?
1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 119564568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).