3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid

C21H23ClN2O3 — CID 42646199

IUPAC3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c22-17-7-9-18(10-8-17)23-20(27)24-14-4-12-21(15-24,13-11-19(25)26)16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,23,27)(H,25,26)
InChIKeyWODRVGVVTPASNM-UHFFFAOYSA-N
MW386.88 g/mol
LogP4.77
Rot. Bonds5

About 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid

3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid (PubChem CID 42646199) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid
PubChem CID42646199
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid
SMILESO=C(O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C21H23ClN2O3/c22-17-7-9-18(10-8-17)23-20(27)24-14-4-12-21(15-24,13-11-19(25)26)16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,23,27)(H,25,26)
InChIKeyWODRVGVVTPASNM-UHFFFAOYSA-N
XLogP4.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid?
The IUPAC name of 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid (CID 42646199) is 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid is O=C(O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid?
The InChIKey is WODRVGVVTPASNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-17-7-9-18(10-8-17)23-20(27)24-14-4-12-21(15-24,13-11-19(25)26)16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,23,27)(H,25,26).
What are the key properties of 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid?
3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid has a molecular weight of 386.88 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoic acid is sourced from PubChem (CID 42646199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).