N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide

C20H36N2O2 — CID 124728544

IUPACN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESC[C@@H]1C[C@H](CC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC(C)(C)C1
InChIInChI=1S/C20H36N2O2/c1-14-10-17(13-20(4,5)12-14)11-18(23)21-16(3)19(24)22-9-7-6-8-15(22)2/h14-17H,6-13H2,1-5H3,(H,21,23)/t14-,15-,16+,17-/m1/s1
InChIKeyFABAOIIQCZQSLO-WCXIOVBPSA-N
MW336.52 g/mol
LogP3.74
Rot. Bonds4

About N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide

N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide (PubChem CID 124728544) has the molecular formula C20H36N2O2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
PubChem CID124728544
Molecular FormulaC20H36N2O2
Molecular Weight336.52 g/mol
Exact Mass336.28
IUPAC NameN-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
SMILESC[C@@H]1C[C@H](CC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC(C)(C)C1
InChIInChI=1S/C20H36N2O2/c1-14-10-17(13-20(4,5)12-14)11-18(23)21-16(3)19(24)22-9-7-6-8-15(22)2/h14-17H,6-13H2,1-5H3,(H,21,23)/t14-,15-,16+,17-/m1/s1
InChIKeyFABAOIIQCZQSLO-WCXIOVBPSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide with MolForge

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Related Compounds

1-[2-[(2-cyclohexylacetyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 119175764
2-cyclohexyl-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide;hydrochloride
CID 119473107
1-cyclopropyl-3-[(2R)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]urea
CID 95285970
1-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-prop-2-ynylurea
CID 95334528
1-[(2R)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-propylurea
CID 95339356
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119634129
2-(methylamino)-N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 123953640
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-(4-nitrophenoxy)acetamide
CID 95272265
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 129431138
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
N'-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]-N-(1,3-thiazol-2-yl)propanediamide
CID 75371274

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The IUPAC name of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide (CID 124728544) is N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide.
What is the SMILES notation for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The canonical SMILES for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide is C[C@@H]1C[C@H](CC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)CC(C)(C)C1.
What is the InChIKey of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
The InChIKey is FABAOIIQCZQSLO-WCXIOVBPSA-N. The full InChI is InChI=1S/C20H36N2O2/c1-14-10-17(13-20(4,5)12-14)11-18(23)21-16(3)19(24)22-9-7-6-8-15(22)2/h14-17H,6-13H2,1-5H3,(H,21,23)/t14-,15-,16+,17-/m1/s1.
What are the key properties of N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide?
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide has a molecular weight of 336.52 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-2-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide is sourced from PubChem (CID 124728544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).