1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one

C18H31N3O3 — CID 110422617

IUPAC1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H31N3O3/c22-17(6-7-19-12-14-24-15-13-19)20-8-10-21(11-9-20)18(23)16-4-2-1-3-5-16/h16H,1-15H2
InChIKeyBMJYUKBHHDWIQI-UHFFFAOYSA-N
MW337.46 g/mol
LogP0.96
Rot. Bonds4

About 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one (PubChem CID 110422617) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
PubChem CID110422617
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCOCC1)N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H31N3O3/c22-17(6-7-19-12-14-24-15-13-19)20-8-10-21(11-9-20)18(23)16-4-2-1-3-5-16/h16H,1-15H2
InChIKeyBMJYUKBHHDWIQI-UHFFFAOYSA-N
XLogP0.96
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(cyclobutanecarbonyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 110665012
3-morpholin-4-yl-1-[4-[2-(oxan-2-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110611726
3-morpholin-4-yl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 71318447
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
1-[4-(cyclohexanecarbonyl)-1,4-diazepan-1-yl]pentane-1,4-dione
CID 108544689
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55467380
3-[3-(azepan-1-yl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 56803567
cyclohexyl-[(3R)-2-methyl-3-(morpholin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 164635363
cycloheptyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63309624
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one (CID 110422617) is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one is O=C(CCN1CCOCC1)N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
The InChIKey is BMJYUKBHHDWIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c22-17(6-7-19-12-14-24-15-13-19)20-8-10-21(11-9-20)18(23)16-4-2-1-3-5-16/h16H,1-15H2.
What are the key properties of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one?
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one has a molecular weight of 337.46 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 110422617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).