1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid

C21H30N2O3 — CID 122015594

IUPAC1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C2(CNC(=O)N3CCC(C(=O)O)CC3)CCCC2)c(C)c1
InChIInChI=1S/C21H30N2O3/c1-15-5-6-18(16(2)13-15)21(9-3-4-10-21)14-22-20(26)23-11-7-17(8-12-23)19(24)25/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyWODIGEKNSJSGJR-UHFFFAOYSA-N
MW358.48 g/mol
LogP3.62
Rot. Bonds4

About 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid

1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122015594) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122015594
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C2(CNC(=O)N3CCC(C(=O)O)CC3)CCCC2)c(C)c1
InChIInChI=1S/C21H30N2O3/c1-15-5-6-18(16(2)13-15)21(9-3-4-10-21)14-22-20(26)23-11-7-17(8-12-23)19(24)25/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyWODIGEKNSJSGJR-UHFFFAOYSA-N
XLogP3.62
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
3-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl-methylamino]propanoic acid
CID 122015595
1-[[1-(dimethylcarbamoyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122002090
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-[[1-(2-methoxyethyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006584
3-(hydroxymethyl)-N-[[1-(2-methylphenyl)cyclopropyl]methyl]pyrrolidine-1-carboxamide
CID 111443978
4-[[3-(2,4-dimethylphenyl)pyrrolidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122024108
1-[3-(2,4-dimethylphenyl)prop-2-enoyl]piperidine-4-carboxylic acid
CID 74871766
(3R)-3-acetamido-N-[[1-(3,5-dimethylphenyl)cyclopentyl]methyl]pyrrolidine-1-carboxamide
CID 125443802
1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010895
1-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122123332

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid (CID 122015594) is 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid is Cc1ccc(C2(CNC(=O)N3CCC(C(=O)O)CC3)CCCC2)c(C)c1.
What is the InChIKey of 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is WODIGEKNSJSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15-5-6-18(16(2)13-15)21(9-3-4-10-21)14-22-20(26)23-11-7-17(8-12-23)19(24)25/h5-6,13,17H,3-4,7-12,14H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid?
1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 358.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122015594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).