4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 79525376

IUPAC4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)CN(C(=O)NCC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-11-7-12(2)10-18(9-11)16(21)17-8-13-3-5-14(6-4-13)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWJPHTRJQXQKVJQ-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.56
Rot. Bonds3

About 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid

4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79525376) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79525376
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1CC(C)CN(C(=O)NCC2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-11-7-12(2)10-18(9-11)16(21)17-8-13-3-5-14(6-4-13)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyWJPHTRJQXQKVJQ-UHFFFAOYSA-N
XLogP2.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-[(4-methylcyclohexyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122122424
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
4-[[(2,6-dimethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524647
4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525234
(3S)-1-(cyclopropylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 81126444
N-(cyclohex-3-en-1-ylmethyl)-3,5-dimethylpiperidine-1-carboxamide
CID 60593450
5-methyl-1-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122124025
1-(cyclohexylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 43371699
5-methyl-1-(thian-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 122123427
4-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79671135
1-(2-cyclopropylacetyl)-5-methylpiperidine-3-carboxylic acid
CID 122118851
4-[[(5-oxo-1,4-diazepane-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529308

Frequently Asked Questions

What is the IUPAC name of 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid (CID 79525376) is 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is CC1CC(C)CN(C(=O)NCC2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WJPHTRJQXQKVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-7-12(2)10-18(9-11)16(21)17-8-13-3-5-14(6-4-13)15(19)20/h11-14H,3-10H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid?
4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3,5-dimethylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79525376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).