1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid

C22H26N2O3 — CID 122078818

IUPAC1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(CCCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c25-21(26)19-13-15-24(16-14-19)22(27)23-20-11-9-18(10-12-20)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,19H,4,7-8,13-16H2,(H,23,27)(H,25,26)
InChIKeyDNFUEEWWRJEVGS-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.19
Rot. Bonds6

About 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122078818) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122078818
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(CCCc3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O3/c25-21(26)19-13-15-24(16-14-19)22(27)23-20-11-9-18(10-12-20)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,19H,4,7-8,13-16H2,(H,23,27)(H,25,26)
InChIKeyDNFUEEWWRJEVGS-UHFFFAOYSA-N
XLogP4.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-pentylphenyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26776914
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
N-(4-butylphenyl)-4-methylpiperidine-1-carboxamide
CID 115581766
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
CID 111431591
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
1-[[4-(2-chlorophenyl)sulfanylphenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078037

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122078818) is 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(CCCc3ccccc3)cc2)CC1.
What is the InChIKey of 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is DNFUEEWWRJEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-21(26)19-13-15-24(16-14-19)22(27)23-20-11-9-18(10-12-20)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,9-12,19H,4,7-8,13-16H2,(H,23,27)(H,25,26).
What are the key properties of 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122078818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).