(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone

C18H31NO2 — CID 79059527

IUPAC(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone
SMILESCC1CC(C)CC(C(=O)C2(N3CCOCC3)CCCC2)C1
InChIInChI=1S/C18H31NO2/c1-14-11-15(2)13-16(12-14)17(20)18(5-3-4-6-18)19-7-9-21-10-8-19/h14-16H,3-13H2,1-2H3
InChIKeyXKJPIWUEHBHFSN-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.27
Rot. Bonds3

About (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone

(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone (PubChem CID 79059527) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone
PubChem CID79059527
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone
SMILESCC1CC(C)CC(C(=O)C2(N3CCOCC3)CCCC2)C1
InChIInChI=1S/C18H31NO2/c1-14-11-15(2)13-16(12-14)17(20)18(5-3-4-6-18)19-7-9-21-10-8-19/h14-16H,3-13H2,1-2H3
InChIKeyXKJPIWUEHBHFSN-UHFFFAOYSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-morpholin-4-ylcyclopentyl)-(oxan-4-yl)methanone
CID 79059005
(4-methylcyclohexyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057458
oxolan-3-yl-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 79060144
3-methyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 43803240
2,2-dimethyl-1-(1-morpholin-4-ylcyclopentyl)propan-1-one
CID 79057514
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
3,4-dimethyl-1-morpholin-4-ylcyclohexane-1-carboxylic acid
CID 64745091
[4-(aminomethyl)oxan-4-yl]-(3,5-dimethylcyclohexyl)methanone
CID 116603187
3-methyl-1-(1-morpholin-4-ylcyclopentyl)but-3-en-1-one
CID 79179560
[1-(dimethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
CID 79067139
(1-aminocyclobutyl)-(3,5-dimethylcyclohexyl)methanone
CID 116598551

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone?
The IUPAC name of (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone (CID 79059527) is (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone.
What is the SMILES notation for (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone?
The canonical SMILES for (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone is CC1CC(C)CC(C(=O)C2(N3CCOCC3)CCCC2)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone?
The InChIKey is XKJPIWUEHBHFSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14-11-15(2)13-16(12-14)17(20)18(5-3-4-6-18)19-7-9-21-10-8-19/h14-16H,3-13H2,1-2H3.
What are the key properties of (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone?
(3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone has a molecular weight of 293.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl)-(1-morpholin-4-ylcyclopentyl)methanone is sourced from PubChem (CID 79059527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).