2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

C18H28N4O2 — CID 111536468

IUPAC2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CC3(O)CCCCC3)cn2)CC1
InChIInChI=1S/C18H28N4O2/c1-21-9-11-22(12-10-21)16-6-5-15(14-19-16)20-17(23)13-18(24)7-3-2-4-8-18/h5-6,14,24H,2-4,7-13H2,1H3,(H,20,23)
InChIKeyYJAQIPBPKXZOCV-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.86
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide

2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (PubChem CID 111536468) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
PubChem CID111536468
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
SMILESCN1CCN(c2ccc(NC(=O)CC3(O)CCCCC3)cn2)CC1
InChIInChI=1S/C18H28N4O2/c1-21-9-11-22(12-10-21)16-6-5-15(14-19-16)20-17(23)13-18(24)7-3-2-4-8-18/h5-6,14,24H,2-4,7-13H2,1H3,(H,20,23)
InChIKeyYJAQIPBPKXZOCV-UHFFFAOYSA-N
XLogP1.86
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430632
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
2-(3,3-dimethylpiperidin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136525298
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 37334790
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 43041648
3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126723

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide (CID 111536468) is 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is CN1CCN(c2ccc(NC(=O)CC3(O)CCCCC3)cn2)CC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
The InChIKey is YJAQIPBPKXZOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-9-11-22(12-10-21)16-6-5-15(14-19-16)20-17(23)13-18(24)7-3-2-4-8-18/h5-6,14,24H,2-4,7-13H2,1H3,(H,20,23).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 111536468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).