2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C18H35N3O2 — CID 95345385

IUPAC2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC1CCN(CCO)CC1
InChIInChI=1S/C18H35N3O2/c1-15-5-3-4-6-17(15)19-18(23)14-20(2)13-16-7-9-21(10-8-16)11-12-22/h15-17,22H,3-14H2,1-2H3,(H,19,23)/t15-,17-/m1/s1
InChIKeyKWZPXNSJHBBATG-NVXWUHKLSA-N
MW325.50 g/mol
LogP1.32
Rot. Bonds7

About 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 95345385) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID95345385
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC1CCN(CCO)CC1
InChIInChI=1S/C18H35N3O2/c1-15-5-3-4-6-17(15)19-18(23)14-20(2)13-16-7-9-21(10-8-16)11-12-22/h15-17,22H,3-14H2,1-2H3,(H,19,23)/t15-,17-/m1/s1
InChIKeyKWZPXNSJHBBATG-NVXWUHKLSA-N
XLogP1.32
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide with MolForge

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Related Compounds

N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[[(2S)-oxan-2-yl]methyl]amino]acetamide
CID 99614050
methyl 2-[methyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetate
CID 60660214
2-[cyclopentylmethyl(methyl)amino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 86868172
2-[cyclopropylmethyl-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]acetic acid
CID 43656905
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl(prop-2-ynyl)amino]acetamide
CID 124623956
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
N-cycloheptyl-2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]acetamide
CID 95346098
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 124738895
N-(2-methylcyclohexyl)-3-piperazin-1-ylpropanamide
CID 66990087
2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 98764091
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 62356455

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 95345385) is 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CN(C)CC1CCN(CCO)CC1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is KWZPXNSJHBBATG-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-15-5-3-4-6-17(15)19-18(23)14-20(2)13-16-7-9-21(10-8-16)11-12-22/h15-17,22H,3-14H2,1-2H3,(H,19,23)/t15-,17-/m1/s1.
What are the key properties of 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 325.50 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 95345385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).