1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid

C19H32N2O4 — CID 120534285

IUPAC1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)CC(C)(C)C1
InChIInChI=1S/C19H32N2O4/c1-13-8-15(10-19(2,3)9-13)17(23)20(4)12-16(22)21-7-5-6-14(11-21)18(24)25/h13-15H,5-12H2,1-4H3,(H,24,25)
InChIKeyQRJNJLNMQHCJBE-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.23
Rot. Bonds4

About 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid

1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 120534285) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid
PubChem CID120534285
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)CC(C)(C)C1
InChIInChI=1S/C19H32N2O4/c1-13-8-15(10-19(2,3)9-13)17(23)20(4)12-16(22)21-7-5-6-14(11-21)18(24)25/h13-15H,5-12H2,1-4H3,(H,24,25)
InChIKeyQRJNJLNMQHCJBE-UHFFFAOYSA-N
XLogP2.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119167914
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60948599
1-[2-[4-methoxypentanoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120534260
1-[2-[2,4-dimethylpent-4-enoyl(methyl)amino]acetyl]piperidine-3-carboxylic acid
CID 120689284
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[2-[[2-(4-ethylphenyl)-2-methylpropanoyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689268
(3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129468518
(3R)-1-[2-[methyl(1,3-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
CID 129466439
1-[2-[[2-(2,4-difluorophenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534241
(3S)-1-[2-[(3-methoxythiophene-2-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 129466589
1-[2-[(4-chloro-2-methylbenzoyl)-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689295
1-[2-[[2-(2,6-dimethylphenyl)acetyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120689288

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid (CID 120534285) is 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid is CC1CC(C(=O)N(C)CC(=O)N2CCCC(C(=O)O)C2)CC(C)(C)C1.
What is the InChIKey of 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is QRJNJLNMQHCJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-13-8-15(10-19(2,3)9-13)17(23)20(4)12-16(22)21-7-5-6-14(11-21)18(24)25/h13-15H,5-12H2,1-4H3,(H,24,25).
What are the key properties of 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid?
1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 352.48 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(3,3,5-trimethylcyclohexanecarbonyl)amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 120534285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).