4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one

C22H38N2O3 — CID 55673832

IUPAC4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC1CN(C(=O)C2CCN(C(=O)CCCC3CCCCC3)CC2)CC(C)O1
InChIInChI=1S/C22H38N2O3/c1-17-15-24(16-18(2)27-17)22(26)20-11-13-23(14-12-20)21(25)10-6-9-19-7-4-3-5-8-19/h17-20H,3-16H2,1-2H3
InChIKeyBPMMDCBJUYIZJD-UHFFFAOYSA-N
MW378.56 g/mol
LogP3.61
Rot. Bonds5

About 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one

4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one (PubChem CID 55673832) has the molecular formula C22H38N2O3 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one
PubChem CID55673832
Molecular FormulaC22H38N2O3
Molecular Weight378.56 g/mol
Exact Mass378.29
IUPAC Name4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one
SMILESCC1CN(C(=O)C2CCN(C(=O)CCCC3CCCCC3)CC2)CC(C)O1
InChIInChI=1S/C22H38N2O3/c1-17-15-24(16-18(2)27-17)22(26)20-11-13-23(14-12-20)21(25)10-6-9-19-7-4-3-5-8-19/h17-20H,3-16H2,1-2H3
InChIKeyBPMMDCBJUYIZJD-UHFFFAOYSA-N
XLogP3.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclohexylbutanoyl)piperidine-4-carboxylic acid
CID 43354138
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
1-(4-cyclohexylbutanoyl)piperidine-4-carboxamide
CID 78784857
N-cyclooctyl-4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidine-1-carboxamide
CID 38289278
1-(4-cyclohexylbutanoyl)-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 86983173
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
tert-butyl 4-[2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 52909179
tert-butyl 4-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidine-1-carboxylate
CID 47082026
4-cyclohexyl-1-(3-methylpiperazin-1-yl)butan-1-one
CID 115273103
3-anilino-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 51122405
3-anilino-1-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]propan-1-one
CID 52512933
4-cyclohexyl-1-(4-hydroxy-4-methylpiperidin-1-yl)butan-1-one
CID 80707393

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one (CID 55673832) is 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one is CC1CN(C(=O)C2CCN(C(=O)CCCC3CCCCC3)CC2)CC(C)O1.
What is the InChIKey of 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
The InChIKey is BPMMDCBJUYIZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O3/c1-17-15-24(16-18(2)27-17)22(26)20-11-13-23(14-12-20)21(25)10-6-9-19-7-4-3-5-8-19/h17-20H,3-16H2,1-2H3.
What are the key properties of 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one?
4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one has a molecular weight of 378.56 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 55673832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).