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

C17H28N4O2 — CID 111540248

IUPACN-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)C(O)CCNC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H28N4O2/c1-14(2)15(22)6-8-19-17(23)13-20-9-11-21(12-10-20)16-5-3-4-7-18-16/h3-5,7,14-15,22H,6,8-13H2,1-2H3,(H,19,23)
InChIKeyJOSJHINYULKCBI-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.73
Rot. Bonds7

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

N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 111540248) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID111540248
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)C(O)CCNC(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H28N4O2/c1-14(2)15(22)6-8-19-17(23)13-20-9-11-21(12-10-20)16-5-3-4-7-18-16/h3-5,7,14-15,22H,6,8-13H2,1-2H3,(H,19,23)
InChIKeyJOSJHINYULKCBI-UHFFFAOYSA-N
XLogP0.73
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43509569
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 109380809
N-(1-methoxypropan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 51199549
N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119393580
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
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
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
N-(3-hydroxy-4-methylpentyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 111540277
N-(3-methylbutyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 109002098
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 111540248) is N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CC(C)C(O)CCNC(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is JOSJHINYULKCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-14(2)15(22)6-8-19-17(23)13-20-9-11-21(12-10-20)16-5-3-4-7-18-16/h3-5,7,14-15,22H,6,8-13H2,1-2H3,(H,19,23).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 320.44 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 111540248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).