3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 107164990

IUPAC3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN1CCC(C)(CNC(=O)C2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-16(6-8-18(2)9-7-16)11-17-14(19)12-4-3-5-13(10-12)15(20)21/h12-13H,3-11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyVAWZERKHPKPBFZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.73
Rot. Bonds4

About 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid

3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 107164990) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID107164990
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN1CCC(C)(CNC(=O)C2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C16H28N2O3/c1-16(6-8-18(2)9-7-16)11-17-14(19)12-4-3-5-13(10-12)15(20)21/h12-13H,3-11H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyVAWZERKHPKPBFZ-UHFFFAOYSA-N
XLogP1.73
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 107163347
N-[(1,4-dimethylpiperidin-4-yl)methyl]piperidine-3-carboxamide
CID 107163930
N-[(1-methylcyclopropyl)methyl]cyclobutanecarboxamide
CID 127018359
3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 103952602
1-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107164868
3-amino-N-[(1-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 103812995
N-[(1-methylcyclopropyl)methyl]cyclopropanecarboxamide
CID 103722140
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-3-oxopropanoic acid
CID 104889410
3-[3-(methylamino)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 55236170
2-(2-aminocyclohexyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107165231
ethane;formaldehyde;N-[(1-methylcyclohexyl)methyl]cyclohexanecarboxamide
CID 90789963
(2S,4S)-2-methyl-N-[(1-methylcyclobutyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120635741

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 107164990) is 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CN1CCC(C)(CNC(=O)C2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is VAWZERKHPKPBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-16(6-8-18(2)9-7-16)11-17-14(19)12-4-3-5-13(10-12)15(20)21/h12-13H,3-11H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperidin-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107164990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).