N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C19H32N4O2 — CID 109380809

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H32N4O2/c1-15(2)18(25)19(3,4)14-21-17(24)13-22-9-11-23(12-10-22)16-7-5-6-8-20-16/h5-8,15,18,25H,9-14H2,1-4H3,(H,21,24)
InChIKeyGLXMKDGUOAJNGS-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.36
Rot. Bonds7

About N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 109380809) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID109380809
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H32N4O2/c1-15(2)18(25)19(3,4)14-21-17(24)13-22-9-11-23(12-10-22)16-7-5-6-8-20-16/h5-8,15,18,25H,9-14H2,1-4H3,(H,21,24)
InChIKeyGLXMKDGUOAJNGS-UHFFFAOYSA-N
XLogP1.36
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 111540248
N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
2-phenyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]propanoic acid
CID 154746178
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanamide
CID 86910705
N-[(1S)-1-(4-bromophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8546590
methyl (2S,3R)-3-methyl-2-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]pentanoate
CID 8617314
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8616542

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 109380809) is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CC(C)C(O)C(C)(C)CNC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is GLXMKDGUOAJNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15(2)18(25)19(3,4)14-21-17(24)13-22-9-11-23(12-10-22)16-7-5-6-8-20-16/h5-8,15,18,25H,9-14H2,1-4H3,(H,21,24).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 348.49 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 109380809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).