(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

C22H29N3O3 — CID 29140001

IUPAC(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CCCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C22H29N3O3/c26-20-15-18(16-25(20)19-9-5-2-6-10-19)22(28)24-13-11-23(12-14-24)21(27)17-7-3-1-4-8-17/h2,5-6,9-10,17-18H,1,3-4,7-8,11-16H2/t18-/m1/s1
InChIKeyHKVPBODFOXJAMU-GOSISDBHSA-N
MW383.49 g/mol
LogP2.29
Rot. Bonds3

About (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 29140001) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID29140001
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CCCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1
InChIInChI=1S/C22H29N3O3/c26-20-15-18(16-25(20)19-9-5-2-6-10-19)22(28)24-13-11-23(12-14-24)21(27)17-7-3-1-4-8-17/h2,5-6,9-10,17-18H,1,3-4,7-8,11-16H2/t18-/m1/s1
InChIKeyHKVPBODFOXJAMU-GOSISDBHSA-N
XLogP2.29
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 29129258
N-cyclooctyl-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118805
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
4-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118737
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
ethyl 4-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 7374839
1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
(4R)-4-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 9350587
1-[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 42568689
4-(piperidine-1-carbonyl)-1-(4-piperidin-1-ylphenyl)pyrrolidin-2-one
CID 113189848
4-(4-methyl-3-phenylpiperazine-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110610513

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 29140001) is (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C(C1CCCCC1)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1.
What is the InChIKey of (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is HKVPBODFOXJAMU-GOSISDBHSA-N. The full InChI is InChI=1S/C22H29N3O3/c26-20-15-18(16-25(20)19-9-5-2-6-10-19)22(28)24-13-11-23(12-14-24)21(27)17-7-3-1-4-8-17/h2,5-6,9-10,17-18H,1,3-4,7-8,11-16H2/t18-/m1/s1.
What are the key properties of (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 383.49 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 29140001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).