(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

C23H31N3O4 — CID 29129258

IUPAC(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)C4CCCCC4)CC3)CC2=O)c1
InChIInChI=1S/C23H31N3O4/c1-30-20-9-5-8-19(15-20)26-16-18(14-21(26)27)23(29)25-12-10-24(11-13-25)22(28)17-6-3-2-4-7-17/h5,8-9,15,17-18H,2-4,6-7,10-14,16H2,1H3/t18-/m1/s1
InChIKeyAUWDSFOAAIRVEM-GOSISDBHSA-N
MW413.52 g/mol
LogP2.30
Rot. Bonds4

About (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one

(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 29129258) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
PubChem CID29129258
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)C4CCCCC4)CC3)CC2=O)c1
InChIInChI=1S/C23H31N3O4/c1-30-20-9-5-8-19(15-20)26-16-18(14-21(26)27)23(29)25-12-10-24(11-13-25)22(28)17-6-3-2-4-7-17/h5,8-9,15,17-18H,2-4,6-7,10-14,16H2,1H3/t18-/m1/s1
InChIKeyAUWDSFOAAIRVEM-GOSISDBHSA-N
XLogP2.30
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one with MolForge

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Related Compounds

1-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 9388657
(4R)-1-(3-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 9375968
tert-butyl 4-[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 42651559
tert-butyl 4-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 29132211
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 29140001
1-(3-methoxyphenyl)-4-(3-phenylazepane-1-carbonyl)pyrrolidin-2-one
CID 90608508
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 46589862
1-(3-methoxyphenyl)-4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 46557998
N-cyclohexyl-1-(3-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 43053261
1-(3-methoxyphenyl)-4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 122257345

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one (CID 29129258) is (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2C[C@H](C(=O)N3CCN(C(=O)C4CCCCC4)CC3)CC2=O)c1.
What is the InChIKey of (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is AUWDSFOAAIRVEM-GOSISDBHSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-30-20-9-5-8-19(15-20)26-16-18(14-21(26)27)23(29)25-12-10-24(11-13-25)22(28)17-6-3-2-4-7-17/h5,8-9,15,17-18H,2-4,6-7,10-14,16H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one?
(4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 413.52 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 29129258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).