4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one

C19H25N3O3 — CID 96574415

IUPAC4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-14(2)11-21-12-15(10-17(21)23)19(25)20-8-9-22(18(24)13-20)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3/t15-/m0/s1
InChIKeyWTJTVCXBKKZXPV-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.37
Rot. Bonds4

About 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one

4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one (PubChem CID 96574415) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
PubChem CID96574415
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
SMILESCC(C)CN1C[C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-14(2)11-21-12-15(10-17(21)23)19(25)20-8-9-22(18(24)13-20)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3/t15-/m0/s1
InChIKeyWTJTVCXBKKZXPV-HNNXBMFYSA-N
XLogP1.37
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019
(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 46597771
(4R)-1-(2-methylpropyl)-4-(2-phenyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)pyrrolidin-2-one
CID 95221109
(4S)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 96581204
(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95710712
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
4-[1-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 154563661
1-(2-methylpropyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
CID 50983712
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
(4S)-1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 94068955

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one?
The IUPAC name of 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one (CID 96574415) is 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one.
What is the SMILES notation for 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one?
The canonical SMILES for 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one is CC(C)CN1C[C@@H](C(=O)N2CCN(c3ccccc3)C(=O)C2)CC1=O.
What is the InChIKey of 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one?
The InChIKey is WTJTVCXBKKZXPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14(2)11-21-12-15(10-17(21)23)19(25)20-8-9-22(18(24)13-20)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one?
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one is sourced from PubChem (CID 96574415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).