4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide

C17H31N3O4 — CID 70300652

IUPAC4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide
SMILESNC(=O)N1CCOCC1.O=C(O)C1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H21NO2.C5H10N2O2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;6-5(8)7-1-3-9-4-2-7/h10,13H,1-9H2,(H,14,15);1-4H2,(H2,6,8)
InChIKeyLWYAAIHKNYCBGJ-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.42
Rot. Bonds2

About 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide

4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide (PubChem CID 70300652) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide.

Molecular Properties

Compound Name4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide
PubChem CID70300652
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide
SMILESNC(=O)N1CCOCC1.O=C(O)C1(C2CCCCC2)CCNCC1
InChIInChI=1S/C12H21NO2.C5H10N2O2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;6-5(8)7-1-3-9-4-2-7/h10,13H,1-9H2,(H,14,15);1-4H2,(H2,6,8)
InChIKeyLWYAAIHKNYCBGJ-UHFFFAOYSA-N
XLogP1.42
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174574194
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(3aS,6aR)-2-(4-morpholin-4-yl-4-oxobutanoyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683469
spiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,4'-piperidine]-3a-carboxylic acid
CID 141032802
4-cyclohexyl-1-[2-[(2R)-2-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholin-2-yl]ethyl]piperidine-4-carboxylic acid;morpholine-4-carboxamide
CID 70297357
morpholine-4-carbonyl chloride;morpholine-4-carboxamide
CID 160802379
4-(1-carboxycyclopropyl)piperidine-1-carboxylic acid
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2-cycloheptyl-1-methyl-2-morpholin-4-ylcyclohexane-1-carboxamide
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N-piperidin-4-ylmorpholine-4-carboxamide;hydrochloride
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CID 7131953

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide?
The IUPAC name of 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide (CID 70300652) is 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide.
What is the SMILES notation for 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide?
The canonical SMILES for 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide is NC(=O)N1CCOCC1.O=C(O)C1(C2CCCCC2)CCNCC1.
What is the InChIKey of 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide?
The InChIKey is LWYAAIHKNYCBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.C5H10N2O2/c14-11(15)12(6-8-13-9-7-12)10-4-2-1-3-5-10;6-5(8)7-1-3-9-4-2-7/h10,13H,1-9H2,(H,14,15);1-4H2,(H2,6,8).
What are the key properties of 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide?
4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylpiperidine-4-carboxylic acid;morpholine-4-carboxamide is sourced from PubChem (CID 70300652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).