1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid

C18H25N3O4 — CID 122121633

IUPAC1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)NC(=O)CN2CC(C)CC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C18H25N3O4/c1-11-4-5-15(13(3)6-11)19-18(25)20-16(22)10-21-8-12(2)7-14(9-21)17(23)24/h4-6,12,14H,7-10H2,1-3H3,(H,23,24)(H2,19,20,22,25)
InChIKeyZXIKMGUEXBZADO-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid

1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122121633) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122121633
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)NC(=O)CN2CC(C)CC(C(=O)O)C2)c(C)c1
InChIInChI=1S/C18H25N3O4/c1-11-4-5-15(13(3)6-11)19-18(25)20-16(22)10-21-8-12(2)7-14(9-21)17(23)24/h4-6,12,14H,7-10H2,1-3H3,(H,23,24)(H2,19,20,22,25)
InChIKeyZXIKMGUEXBZADO-UHFFFAOYSA-N
XLogP1.99
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907840
2-(2,6-dimethylmorpholin-4-yl)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 51170490
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 18083622
N-cyclopropyl-2-[4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9438309
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 9362056
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 26666784
(3S,4S)-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954423
2-(3-amino-4-methylpyrrolidin-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 103576767
N-[(2,4-dimethylphenyl)carbamoyl]-2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930079
ethyl 4-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932030
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540742
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]acetamide
CID 86928300

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid (CID 122121633) is 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid is Cc1ccc(NC(=O)NC(=O)CN2CC(C)CC(C(=O)O)C2)c(C)c1.
What is the InChIKey of 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is ZXIKMGUEXBZADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11-4-5-15(13(3)6-11)19-18(25)20-16(22)10-21-8-12(2)7-14(9-21)17(23)24/h4-6,12,14H,7-10H2,1-3H3,(H,23,24)(H2,19,20,22,25).
What are the key properties of 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid?
1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122121633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).