3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

C16H28N2O3 — CID 63782980

IUPAC3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(CN1CCCCC1)NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(10-13)16(20)21/h12-14H,2-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyMATBAJDFDAIOMG-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.87
Rot. Bonds5

About 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid

3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 63782980) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID63782980
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESCC(CN1CCCCC1)NC(=O)C1CCCC(C(=O)O)C1
InChIInChI=1S/C16H28N2O3/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(10-13)16(20)21/h12-14H,2-11H2,1H3,(H,17,19)(H,20,21)
InChIKeyMATBAJDFDAIOMG-UHFFFAOYSA-N
XLogP1.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 60940827
3-(2-aminoethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62808028
3-amino-2-methyl-N-(1-piperidin-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 62783102
3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784341
3-(4-methylsulfinylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 113493690
N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-3-carboxamide
CID 54954138
3-(octan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784683
2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103247689
1-(cyclopropanecarbonyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 171675755
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 102779216
3-methyl-1-(1-piperidin-1-ylpropan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102782109
3-(3,3-dimethylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 115978031

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid (CID 63782980) is 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is CC(CN1CCCCC1)NC(=O)C1CCCC(C(=O)O)C1.
What is the InChIKey of 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is MATBAJDFDAIOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(11-18-8-3-2-4-9-18)17-15(19)13-6-5-7-14(10-13)16(20)21/h12-14H,2-11H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid?
3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 296.41 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).