2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide

C16H30N2O2 — CID 98764091

IUPAC2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H](O)C1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1
InChIInChI=1S/C16H30N2O2/c1-12-5-3-4-6-15(12)17-16(20)11-18-9-7-14(8-10-18)13(2)19/h12-15,19H,3-11H2,1-2H3,(H,17,20)/t12-,13-,15-/m0/s1
InChIKeyGJWGELOMVZYFSU-YDHLFZDLSA-N
MW282.43 g/mol
LogP1.77
Rot. Bonds4

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

2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (PubChem CID 98764091) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
PubChem CID98764091
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
SMILESC[C@H](O)C1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1
InChIInChI=1S/C16H30N2O2/c1-12-5-3-4-6-15(12)17-16(20)11-18-9-7-14(8-10-18)13(2)19/h12-15,19H,3-11H2,1-2H3,(H,17,20)/t12-,13-,15-/m0/s1
InChIKeyGJWGELOMVZYFSU-YDHLFZDLSA-N
XLogP1.77
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(methylamino)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 119923766
N-[(1R,2S)-2-methylcyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439119
1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8546110
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
1-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid;hydrochloride
CID 119904053
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9131221
N-cycloheptyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628204
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 94595136
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 62356455
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
N-[1-[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]piperidin-4-yl]-2-phenylacetamide
CID 7411819
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-methylcyclohexyl)acetamide
CID 78942385

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide (CID 98764091) is 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is C[C@H](O)C1CCN(CC(=O)N[C@H]2CCCC[C@@H]2C)CC1.
What is the InChIKey of 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
The InChIKey is GJWGELOMVZYFSU-YDHLFZDLSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-5-3-4-6-15(12)17-16(20)11-18-9-7-14(8-10-18)13(2)19/h12-15,19H,3-11H2,1-2H3,(H,17,20)/t12-,13-,15-/m0/s1.
What are the key properties of 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide?
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide has a molecular weight of 282.43 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 98764091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).