1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one

C16H28N2O3 — CID 110021788

IUPAC1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one
SMILESCC1CC(C)CC(C(=O)N2CCN(C(=O)C(C)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-11-8-12(2)10-14(9-11)16(21)18-6-4-17(5-7-18)15(20)13(3)19/h11-14,19H,4-10H2,1-3H3
InChIKeySRGUMXBAUHURSK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.11
Rot. Bonds2

About 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one

1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one (PubChem CID 110021788) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one
PubChem CID110021788
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one
SMILESCC1CC(C)CC(C(=O)N2CCN(C(=O)C(C)O)CC2)C1
InChIInChI=1S/C16H28N2O3/c1-11-8-12(2)10-14(9-11)16(21)18-6-4-17(5-7-18)15(20)13(3)19/h11-14,19H,4-10H2,1-3H3
InChIKeySRGUMXBAUHURSK-UHFFFAOYSA-N
XLogP1.11
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 177267388
1-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-2-methylpropan-1-one
CID 42943843
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004
ethyl 4-(3-amino-5-methylcyclohexanecarbonyl)piperazine-1-carboxylate
CID 107877740
(3,4-dimethylcyclopentyl)-(4-sulfanylpiperazin-1-yl)methanone
CID 91140368
azetidin-1-yl-[(3S)-1-hydroxy-5-methylpiperidin-3-yl]methanone;ethane
CID 142359171
(3-methylcyclobutyl)-[(3S)-3-methylpiperazin-1-yl]methanone;hydrochloride
CID 130747809
1-(4,4-dimethylpiperidin-1-yl)-2-hydroxypropan-1-one
CID 58959831
2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one
CID 77411608
[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylcyclobutyl)methanone
CID 156719806

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The IUPAC name of 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one (CID 110021788) is 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The canonical SMILES for 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one is CC1CC(C)CC(C(=O)N2CCN(C(=O)C(C)O)CC2)C1.
What is the InChIKey of 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one?
The InChIKey is SRGUMXBAUHURSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11-8-12(2)10-14(9-11)16(21)18-6-4-17(5-7-18)15(20)13(3)19/h11-14,19H,4-10H2,1-3H3.
What are the key properties of 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one?
1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dimethylcyclohexanecarbonyl)piperazin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 110021788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).