4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide

C17H22N4O3 — CID 136580851

IUPAC4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
SMILESCN1C(=O)CC[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-19-14(6-7-15(19)22)17(24)21-10-8-20(9-11-21)13-4-2-12(3-5-13)16(18)23/h2-5,14H,6-11H2,1H3,(H2,18,23)/t14-/m0/s1
InChIKeyBQYSGJKOIUYVMR-AWEZNQCLSA-N
MW330.39 g/mol
LogP0.05
Rot. Bonds3

About 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide

4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide (PubChem CID 136580851) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
PubChem CID136580851
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
SMILESCN1C(=O)CC[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C17H22N4O3/c1-19-14(6-7-15(19)22)17(24)21-10-8-20(9-11-21)13-4-2-12(3-5-13)16(18)23/h2-5,14H,6-11H2,1H3,(H2,18,23)/t14-/m0/s1
InChIKeyBQYSGJKOIUYVMR-AWEZNQCLSA-N
XLogP0.05
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110687296
4-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]benzamide
CID 68721294
4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]benzamide;hydrochloride
CID 68549109
4-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]benzamide;dihydrochloride
CID 119890505
4-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]benzamide
CID 68550560
1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274
4-[4-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]benzamide
CID 98762392
(2S)-2-[4-(4-acetylphenyl)piperazine-1-carbonyl]pyrrolidine-1-carboxamide
CID 74233374
1-methyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110687297
[4-(4-hydroxyphenyl)piperazin-1-yl]-(1-methylazepan-2-yl)methanone
CID 131927700

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide?
The IUPAC name of 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide (CID 136580851) is 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide.
What is the SMILES notation for 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide?
The canonical SMILES for 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide is CN1C(=O)CC[C@H]1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide?
The InChIKey is BQYSGJKOIUYVMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-19-14(6-7-15(19)22)17(24)21-10-8-20(9-11-21)13-4-2-12(3-5-13)16(18)23/h2-5,14H,6-11H2,1H3,(H2,18,23)/t14-/m0/s1.
What are the key properties of 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide?
4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 136580851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).