1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

C22H28N2O4 — CID 138055984

IUPAC1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1(C)[C@H](C(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-22(2)18(14-6-4-3-5-7-14)19(22)20(26)23-10-8-16(9-11-23)24-13-15(21(27)28)12-17(24)25/h3-7,15-16,18-19H,8-13H2,1-2H3,(H,27,28)/t15?,18-,19+/m1/s1
InChIKeyRVJUAYFGVZMAHW-FWZRCDJUSA-N
MW384.48 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid

1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 138055984) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID138055984
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCC1(C)[C@H](C(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)[C@H]1c1ccccc1
InChIInChI=1S/C22H28N2O4/c1-22(2)18(14-6-4-3-5-7-14)19(22)20(26)23-10-8-16(9-11-23)24-13-15(21(27)28)12-17(24)25/h3-7,15-16,18-19H,8-13H2,1-2H3,(H,27,28)/t15?,18-,19+/m1/s1
InChIKeyRVJUAYFGVZMAHW-FWZRCDJUSA-N
XLogP2.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

1-cyclohexyl-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 2986614
(3R)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 42544015
1-cyclohexyl-4-[(3S,4S)-3-(hydroxymethyl)-4-phenylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 136584044
(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
(3S)-1-[(3R)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124682709
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-cyclopentylpyrrolidin-2-one
CID 27536013
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690127
(4R)-4-[4-(2-chlorophenoxy)piperidine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 97112468
1-[1-[(2-methyl-4-pyridinyl)carbamoyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 139014191
ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185227
(3R)-1-cyclopentyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 95594183

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid (CID 138055984) is 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid is CC1(C)[C@H](C(=O)N2CCC(N3CC(C(=O)O)CC3=O)CC2)[C@H]1c1ccccc1.
What is the InChIKey of 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is RVJUAYFGVZMAHW-FWZRCDJUSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-22(2)18(14-6-4-3-5-7-14)19(22)20(26)23-10-8-16(9-11-23)24-13-15(21(27)28)12-17(24)25/h3-7,15-16,18-19H,8-13H2,1-2H3,(H,27,28)/t15?,18-,19+/m1/s1.
What are the key properties of 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid?
1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 384.48 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R,3R)-2,2-dimethyl-3-phenylcyclopropanecarbonyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 138055984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).