(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

C20H26N2O4 — CID 97324717

IUPAC(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)N2CC[C@@](C)(C(=O)O)C2)(c2ccccc2)CC1
InChIInChI=1S/C20H26N2O4/c1-15(23)21-12-9-20(10-13-21,16-6-4-3-5-7-16)17(24)22-11-8-19(2,14-22)18(25)26/h3-7H,8-14H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyWGAFZARNFWBFQZ-LJQANCHMSA-N
MW358.44 g/mol
LogP1.89
Rot. Bonds3

About (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid

(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 97324717) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID97324717
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(=O)N1CCC(C(=O)N2CC[C@@](C)(C(=O)O)C2)(c2ccccc2)CC1
InChIInChI=1S/C20H26N2O4/c1-15(23)21-12-9-20(10-13-21,16-6-4-3-5-7-16)17(24)22-11-8-19(2,14-22)18(25)26/h3-7H,8-14H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyWGAFZARNFWBFQZ-LJQANCHMSA-N
XLogP1.89
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-phenylcyclopropanecarbonyl)pyrrolidine-3-carboxylic acid
CID 63146569
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146609
1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256916
(3R)-1-[1-(3-bromophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695146
1-[1-(3-chlorophenyl)cyclopentanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256737
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 39581896
(2,2-dimethylmorpholin-4-yl)-(1-phenylcyclobutyl)methanone
CID 86983017
1-[1-(3-methoxy-4-methylphenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256385
1-acetyl-4-(4-bromophenyl)piperidine-4-carboxylic acid
CID 70818696
1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 119256443
(3R)-1-(2,2-diphenylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124695120
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid (CID 97324717) is (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is CC(=O)N1CCC(C(=O)N2CC[C@@](C)(C(=O)O)C2)(c2ccccc2)CC1.
What is the InChIKey of (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is WGAFZARNFWBFQZ-LJQANCHMSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-15(23)21-12-9-20(10-13-21,16-6-4-3-5-7-16)17(24)22-11-8-19(2,14-22)18(25)26/h3-7H,8-14H2,1-2H3,(H,25,26)/t19-/m1/s1.
What are the key properties of (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid?
(3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-acetyl-4-phenylpiperidine-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 97324717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).