2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 2931320

IUPAC2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H26N2O4/c18-14(12-4-1-2-5-13(12)15(19)20)16-6-3-7-17-8-10-21-11-9-17/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyLDDFOWFYSOXOAS-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.72
Rot. Bonds6

About 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid

2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 2931320) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID2931320
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H26N2O4/c18-14(12-4-1-2-5-13(12)15(19)20)16-6-3-7-17-8-10-21-11-9-17/h12-13H,1-11H2,(H,16,18)(H,19,20)
InChIKeyLDDFOWFYSOXOAS-UHFFFAOYSA-N
XLogP0.72
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-Propylpiperidin-4-yl)carbamoyl]cyclohexanecarboxylic acid
CID 17376897
cis-(1R,2S)-2-(morpholin-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 903754
2-(N-(2,2-dimethoxyethyl)carbamoyl)cyclohexanecarboxylic acid
CID 2737716
2-(Piperazinylcarbonyl)cyclohexanecarboxylic acid
CID 16958171
(1R,2S)-2-(morpholin-4-ylcarbonyl)cyclohexanecarboxylic acid
CID 750946
2-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63826597
2-[2-(2,2-Difluoroethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 103090707
cis-(1S,2R)-2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 105638506
cis-(1S,2R)-2-[2-(2,2-difluoroethoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 105907706
2-{[(2-Methoxyethyl)amino]-carbonyl}cyclohexanecarboxylic acid
CID 2984419
2-[(Tetrahydro-furan-2-ylmethyl)-carbamoyl]-cyclohexanecarboxylic acid
CID 3119934
3-[N-(3-morpholin-4-ylpropyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 6469191

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid (CID 2931320) is 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is LDDFOWFYSOXOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c18-14(12-4-1-2-5-13(12)15(19)20)16-6-3-7-17-8-10-21-11-9-17/h12-13H,1-11H2,(H,16,18)(H,19,20).
What are the key properties of 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid?
2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2931320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).