(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone

C18H27N3O — CID 71682644

IUPAC(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESCC1CCC(C(=O)N2CCN(c3ccccn3)[C@H](C)C2)CC1
InChIInChI=1S/C18H27N3O/c1-14-6-8-16(9-7-14)18(22)20-11-12-21(15(2)13-20)17-5-3-4-10-19-17/h3-5,10,14-16H,6-9,11-13H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeySSSGKHDPHYYWFE-HWOWSKLDSA-N
MW301.43 g/mol
LogP2.94
Rot. Bonds2

About (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone

(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone (PubChem CID 71682644) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
PubChem CID71682644
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
SMILESCC1CCC(C(=O)N2CCN(c3ccccn3)[C@H](C)C2)CC1
InChIInChI=1S/C18H27N3O/c1-14-6-8-16(9-7-14)18(22)20-11-12-21(15(2)13-20)17-5-3-4-10-19-17/h3-5,10,14-16H,6-9,11-13H2,1-2H3/t14?,15-,16?/m1/s1
InChIKeySSSGKHDPHYYWFE-HWOWSKLDSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone with MolForge

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Related Compounds

1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741110
(4-propan-2-ylcyclohexyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 167400923
cyclopropyl-[(3R)-3-(pyridin-2-ylamino)pyrrolidin-1-yl]methanone
CID 175863488
[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[1-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 46297905
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493
[(3S)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]-[2,4,6-trimethyl-3-[(1-pyrazin-2-ylpiperidin-4-yl)amino]phenyl]methanone
CID 139473858
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 120631278
5-methyl-2-propan-2-yl-1-pyridin-2-ylazepane
CID 176763777
[(3R,5S)-3,5-dimethylpiperidin-1-yl]-(1-pyridin-2-yl-2,3-dihydroindol-2-yl)methanone
CID 142690245
(1,1-dioxothiolan-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 56809257
[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-(1-pyridin-4-ylpiperidin-4-yl)methanone
CID 92882193

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone (CID 71682644) is (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone is CC1CCC(C(=O)N2CCN(c3ccccn3)[C@H](C)C2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
The InChIKey is SSSGKHDPHYYWFE-HWOWSKLDSA-N. The full InChI is InChI=1S/C18H27N3O/c1-14-6-8-16(9-7-14)18(22)20-11-12-21(15(2)13-20)17-5-3-4-10-19-17/h3-5,10,14-16H,6-9,11-13H2,1-2H3/t14?,15-,16?/m1/s1.
What are the key properties of (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone?
(4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[(3R)-3-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone is sourced from PubChem (CID 71682644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).