N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide

C21H32N2O3 — CID 70738477

IUPACN-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C21H32N2O3/c1-16(24)22-13-11-19-9-4-5-14-23(19)20(25)18-8-6-7-17(15-18)10-12-21(2,3)26/h6-8,15,19,26H,4-5,9-14H2,1-3H3,(H,22,24)
InChIKeyXLGKIMVTUMOOAU-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.91
Rot. Bonds7

About N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide

N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 70738477) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
PubChem CID70738477
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1
InChIInChI=1S/C21H32N2O3/c1-16(24)22-13-11-19-9-4-5-14-23(19)20(25)18-8-6-7-17(15-18)10-12-21(2,3)26/h6-8,15,19,26H,4-5,9-14H2,1-3H3,(H,22,24)
InChIKeyXLGKIMVTUMOOAU-UHFFFAOYSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 70705549
N-[2-[1-[3-(4-hydroxyphenyl)benzoyl]piperidin-2-yl]ethyl]acetamide
CID 70786735
(2S)-N-ethyl-1-[3-(3-hydroxy-3-methylbutyl)benzoyl]pyrrolidine-2-carboxamide
CID 70788441
[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95863375
cyclopropyl-[4-[3-(3-hydroxy-3-methylbutyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 70726280
[4-(2-hydroxyethyl)piperidin-1-yl]-[3-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 70783319
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(5-methyl-1,2-oxazol-3-yl)piperidin-1-yl]methanone
CID 70725176
[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]-[4-(3-hydroxy-3-methylbutyl)phenyl]methanone
CID 95872305
[3-(3-hydroxy-3-methylbutyl)phenyl]-[(2R)-2-(hydroxymethyl)-4-methylpiperazin-1-yl]methanone
CID 95867561
N-[2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]ethyl]acetamide
CID 127245085
2-[3-(2-propylpiperidine-1-carbonyl)phenyl]acetic acid
CID 136546901
3-(3-hydroxy-3-methylbutyl)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]benzamide
CID 95896352

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide (CID 70738477) is N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1C(=O)c1cccc(CCC(C)(C)O)c1.
What is the InChIKey of N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is XLGKIMVTUMOOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-16(24)22-13-11-19-9-4-5-14-23(19)20(25)18-8-6-7-17(15-18)10-12-21(2,3)26/h6-8,15,19,26H,4-5,9-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 360.50 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(3-hydroxy-3-methylbutyl)benzoyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70738477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).