1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide

C18H31N3O3 — CID 46446968

IUPAC1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
SMILESCC1CN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)CC(C)O1
InChIInChI=1S/C18H31N3O3/c1-13-11-20(12-14(2)24-13)10-7-19-17(22)15-5-8-21(9-6-15)18(23)16-3-4-16/h13-16H,3-12H2,1-2H3,(H,19,22)
InChIKeyOHTQFZCDPVEEST-UHFFFAOYSA-N
MW337.46 g/mol
LogP0.86
Rot. Bonds5

About 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 46446968) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID46446968
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
SMILESCC1CN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)CC(C)O1
InChIInChI=1S/C18H31N3O3/c1-13-11-20(12-14(2)24-13)10-7-19-17(22)15-5-8-21(9-6-15)18(23)16-3-4-16/h13-16H,3-12H2,1-2H3,(H,19,22)
InChIKeyOHTQFZCDPVEEST-UHFFFAOYSA-N
XLogP0.86
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropanecarbonyl)-N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 94116306
1-(cyclopropanecarbonyl)-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 94115475
1-(benzenesulfonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 43044329
1-(cyclopropanecarbonyl)-N-[2-(ethylsulfonylamino)ethyl]piperidine-4-carboxamide
CID 38427278
3-amino-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]cyclopentane-1-carboxamide
CID 119858858
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 75800055
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 56862595
4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 109147174
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
N-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 25356834
N-[2-(azepan-1-yl)ethyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-4-carboxamide
CID 4135815
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide (CID 46446968) is 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide is CC1CN(CCNC(=O)C2CCN(C(=O)C3CC3)CC2)CC(C)O1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is OHTQFZCDPVEEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-13-11-20(12-14(2)24-13)10-7-19-17(22)15-5-8-21(9-6-15)18(23)16-3-4-16/h13-16H,3-12H2,1-2H3,(H,19,22).
What are the key properties of 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46446968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).