2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide

C19H38N2O3 — CID 145399682

IUPAC2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide
SMILESCC(O)C[C@@H](C)CN(C)C(=O)C[C@H]1CCCN([C@](C)(O)C(C)C)C1
InChIInChI=1S/C19H38N2O3/c1-14(2)19(5,24)21-9-7-8-17(13-21)11-18(23)20(6)12-15(3)10-16(4)22/h14-17,22,24H,7-13H2,1-6H3/t15-,16?,17-,19-/m1/s1
InChIKeyYTPTUPLFFDYCRK-MJKQYLNTSA-N
MW342.52 g/mol
LogP2.32
Rot. Bonds8

About 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide

2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide (PubChem CID 145399682) has the molecular formula C19H38N2O3 and a molecular weight of 342.52 g/mol. Its IUPAC name is 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide
PubChem CID145399682
Molecular FormulaC19H38N2O3
Molecular Weight342.52 g/mol
Exact Mass342.29
IUPAC Name2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide
SMILESCC(O)C[C@@H](C)CN(C)C(=O)C[C@H]1CCCN([C@](C)(O)C(C)C)C1
InChIInChI=1S/C19H38N2O3/c1-14(2)19(5,24)21-9-7-8-17(13-21)11-18(23)20(6)12-15(3)10-16(4)22/h14-17,22,24H,7-13H2,1-6H3/t15-,16?,17-,19-/m1/s1
InChIKeyYTPTUPLFFDYCRK-MJKQYLNTSA-N
XLogP2.32
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Bis(2-ethylhexyl)-4-hydroxyhexanamide
CID 71406649
3-Methyl-1-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 112328981
1-(3-Hydroxypiperidin-1-yl)-3,7,11,15-tetramethylhexadecan-1-one
CID 21297912
1-[4-(Hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 59527209
1,4-Diethyl-5-hydroxy-6,6-dimethylpiperidin-2-one
CID 123632787
1-[4-(1-Hydroxy-2-methylpropyl)piperidin-1-yl]-3-methylbutan-1-one
CID 132061513
6-Hydroxy-1-(4-methylpiperidin-1-yl)hexan-1-one;pentane
CID 145077037
Cyclopentyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721081
1-(4-Hydroxypiperidin-1-yl)-2-methylhexan-1-one
CID 156175105
2-Ethyl-4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 156829766
6-[[6-[bis(2-ethylhexyl)amino]-6-oxohexyl]-(4-hydroxybutyl)amino]-N,N-bis(2-ethylhexyl)hexanamide
CID 168943796
2-Ethylpentan-1-ol;1-piperidin-1-ylbutan-1-one
CID 170755576

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide?
The IUPAC name of 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide (CID 145399682) is 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide.
What is the SMILES notation for 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide?
The canonical SMILES for 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide is CC(O)C[C@@H](C)CN(C)C(=O)C[C@H]1CCCN([C@](C)(O)C(C)C)C1.
What is the InChIKey of 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide?
The InChIKey is YTPTUPLFFDYCRK-MJKQYLNTSA-N. The full InChI is InChI=1S/C19H38N2O3/c1-14(2)19(5,24)21-9-7-8-17(13-21)11-18(23)20(6)12-15(3)10-16(4)22/h14-17,22,24H,7-13H2,1-6H3/t15-,16?,17-,19-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide?
2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide has a molecular weight of 342.52 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2R)-2-hydroxy-3-methylbutan-2-yl]piperidin-3-yl]-N-[(2R)-4-hydroxy-2-methylpentyl]-N-methylacetamide is sourced from PubChem (CID 145399682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).