methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate

C22H25ClN2O3 — CID 25138325

IUPACmethyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate
SMILESCOC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H25ClN2O3/c1-28-20(26)12-14-22(17-6-3-2-4-7-17)13-5-15-25(16-22)21(27)24-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)
InChIKeyIJQXEOBXNKFUOJ-UHFFFAOYSA-N
MW400.91 g/mol
LogP4.86
Rot. Bonds5

About methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate

methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate (PubChem CID 25138325) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate
PubChem CID25138325
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Namemethyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate
SMILESCOC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H25ClN2O3/c1-28-20(26)12-14-22(17-6-3-2-4-7-17)13-5-15-25(16-22)21(27)24-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)
InChIKeyIJQXEOBXNKFUOJ-UHFFFAOYSA-N
XLogP4.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-3-(2-hydroxyethyl)-3-phenylpiperidine-1-carboxamide
CID 46882949
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 44555473
4-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)butanoic acid
CID 42644088
3-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoic acid
CID 42646199
3-(3-amino-3-oxopropyl)-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
CID 46882951
N-(4-chlorophenyl)-3-(3-(methylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882972
2-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)acetic acid
CID 46882918
5-(1-(4-Chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)pentanoic acid
CID 46882919
N-(4-chlorophenyl)-3-(3-hydroxypropyl)-3-phenylpiperidine-1-carboxamide
CID 46882950
N-(4-chlorophenyl)-3-(2-(dimethylamino)ethyl)-3-phenylpiperidine-1-carboxamide
CID 46882969
N-(4-chlorophenyl)-3-(3-(diethylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882973
N-(4-chlorophenyl)-3-(3-morpholino-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882986

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate (CID 25138325) is methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate is COC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate?
The InChIKey is IJQXEOBXNKFUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-28-20(26)12-14-22(17-6-3-2-4-7-17)13-5-15-25(16-22)21(27)24-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27).
What are the key properties of methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate?
methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate has a molecular weight of 400.91 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[(4-chlorophenyl)carbamoyl]-3-phenylpiperidin-3-yl]propanoate is sourced from PubChem (CID 25138325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).