1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid

C22H26N2O4 — CID 122014818

IUPAC1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(Cc2ccccc2)NC(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-28-19-11-9-17(10-12-19)20(14-16-6-3-2-4-7-16)23-22(27)24-13-5-8-18(15-24)21(25)26/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyGXYLDXBQMUKDPR-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.49
Rot. Bonds6

About 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid

1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122014818) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122014818
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(C(Cc2ccccc2)NC(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C22H26N2O4/c1-28-19-11-9-17(10-12-19)20(14-16-6-3-2-4-7-16)23-22(27)24-13-5-8-18(15-24)21(25)26/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3,(H,23,27)(H,25,26)
InChIKeyGXYLDXBQMUKDPR-UHFFFAOYSA-N
XLogP3.49
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
(3R)-N-[(1R)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 95267023
1-[[furan-2-yl-(4-methoxyphenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122017027
1-[1-(4-methoxyphenyl)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 66196818
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
1-[3-(4-methoxyphenyl)pentanoyl]piperidine-3-carboxylic acid
CID 120684317
3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 110882626
1-[(1-methoxy-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122004823
(3R)-N-[(4-methoxyphenyl)methyl]-3-(2-phenylacetyl)piperidine-1-carboxamide
CID 95710656
4-methoxy-N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)benzamide
CID 5021960
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid (CID 122014818) is 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid is COc1ccc(C(Cc2ccccc2)NC(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is GXYLDXBQMUKDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-28-19-11-9-17(10-12-19)20(14-16-6-3-2-4-7-16)23-22(27)24-13-5-8-18(15-24)21(25)26/h2-4,6-7,9-12,18,20H,5,8,13-15H2,1H3,(H,23,27)(H,25,26).
What are the key properties of 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-methoxyphenyl)-2-phenylethyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122014818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).