1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid

C22H22ClNO3 — CID 124702859

IUPAC1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H22ClNO3/c23-19-9-5-4-8-16(19)17-14-18(17)20(25)24-12-10-22(11-13-24,21(26)27)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2,(H,26,27)/t17-,18-/m0/s1
InChIKeyZWPPKRKNQRWWNT-ROUUACIJSA-N
MW383.87 g/mol
LogP4.09
Rot. Bonds4

About 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid

1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 124702859) has the molecular formula C22H22ClNO3 and a molecular weight of 383.87 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID124702859
Molecular FormulaC22H22ClNO3
Molecular Weight383.87 g/mol
Exact Mass383.13
IUPAC Name1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
SMILESO=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C22H22ClNO3/c23-19-9-5-4-8-16(19)17-14-18(17)20(25)24-12-10-22(11-13-24,21(26)27)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2,(H,26,27)/t17-,18-/m0/s1
InChIKeyZWPPKRKNQRWWNT-ROUUACIJSA-N
XLogP4.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.87
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2-chlorophenyl)cyclopropyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 71936528
1-[(1S,2S)-2-(3-methylthiophen-2-yl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 124698267
[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
CID 55550947
[2-(2-chlorophenyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51291684
[2-(2-chlorophenyl)cyclopropyl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 112806323
[2-(2-chlorophenyl)cyclopropyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 51292072
[2-(2-chlorophenyl)cyclopropyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 51292018
1-[4-[(1S,2R)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 95620484
4-hydroxy-1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119251554
[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55660699
2-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-N-phenylacetamide
CID 51333103

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid (CID 124702859) is 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid is O=C([C@H]1C[C@H]1c1ccccc1Cl)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is ZWPPKRKNQRWWNT-ROUUACIJSA-N. The full InChI is InChI=1S/C22H22ClNO3/c23-19-9-5-4-8-16(19)17-14-18(17)20(25)24-12-10-22(11-13-24,21(26)27)15-6-2-1-3-7-15/h1-9,17-18H,10-14H2,(H,26,27)/t17-,18-/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid?
1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 383.87 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 124702859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).