(4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone

C19H34N2O — CID 131686525

IUPAC(4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
SMILESCC1CCC(C(=O)N2CCC(C3CCCCN3C)CC2)CC1
InChIInChI=1S/C19H34N2O/c1-15-6-8-17(9-7-15)19(22)21-13-10-16(11-14-21)18-5-3-4-12-20(18)2/h15-18H,3-14H2,1-2H3
InChIKeyNNUYANLTXYPQBE-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.54
Rot. Bonds2

About (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone

(4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone (PubChem CID 131686525) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
PubChem CID131686525
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC Name(4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
SMILESCC1CCC(C(=O)N2CCC(C3CCCCN3C)CC2)CC1
InChIInChI=1S/C19H34N2O/c1-15-6-8-17(9-7-15)19(22)21-13-10-16(11-14-21)18-5-3-4-12-20(18)2/h15-18H,3-14H2,1-2H3
InChIKeyNNUYANLTXYPQBE-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(4aS,8aS)-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-6-yl]-(4-methylcyclohexyl)methanone
CID 155869695
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146216
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
(4aR,8aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 642630
(4aR)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 143862293
(3aR,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 59880463
(4-methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
[4-(aminomethyl)piperidin-1-yl]-(4-methylcyclohexyl)methanone
CID 81468169
[4-(2-methoxyethyl)piperazin-1-yl]-(4-methylcyclohexyl)methanone
CID 163257255
(3aR,6aR)-2-methyl-5-(4-methylcyclohexanecarbonyl)-3a,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-3-one
CID 131691906
[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)cyclohexyl]-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 171722445
(3-chloro-2-methylphenyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone
CID 155873845

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone (CID 131686525) is (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone is CC1CCC(C(=O)N2CCC(C3CCCCN3C)CC2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
The InChIKey is NNUYANLTXYPQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-15-6-8-17(9-7-15)19(22)21-13-10-16(11-14-21)18-5-3-4-12-20(18)2/h15-18H,3-14H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone?
(4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone has a molecular weight of 306.49 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 131686525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).