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

C15H26N2O3 — CID 114505769

IUPAC3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-10-9-17(2)7-6-13(10)16-14(18)11-4-3-5-12(8-11)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyUDTCERIEKCLUPI-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.33
Rot. Bonds3

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

3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114505769) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114505769
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCC1CN(C)CCC1NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C15H26N2O3/c1-10-9-17(2)7-6-13(10)16-14(18)11-4-3-5-12(8-11)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyUDTCERIEKCLUPI-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-2-methylpiperidine-4-carboxamide
CID 106740745
3-[(1-methylpiperidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63783132
1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 114505369
4-[(1,3-dimethylpiperidin-4-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114505373
N-(1,3-dimethylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 115598650
(2R)-1-[(1,3-dimethylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 104931163
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102629325
(3S)-3-(methylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54034306
1-[2-[(1,3-dimethylpiperidin-4-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103268593
1-cyclopropyl-3-(1,3-dimethylpiperidin-4-yl)thiourea
CID 115598623
3-amino-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62775601
3-[(1-methylpyrrolidin-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 63042641

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 114505769) is 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is CC1CN(C)CCC1NC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is UDTCERIEKCLUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10-9-17(2)7-6-13(10)16-14(18)11-4-3-5-12(8-11)15(19)20/h10-13H,3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethylpiperidin-4-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114505769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).