2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide

C25H34N4O2 — CID 86941603

IUPAC2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCC1CCCC(OCC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)C1
InChIInChI=1S/C25H34N4O2/c1-20-5-4-6-23(17-20)31-19-25(30)27-22-10-8-21(9-11-22)18-28-13-15-29(16-14-28)24-7-2-3-12-26-24/h2-3,7-12,20,23H,4-6,13-19H2,1H3,(H,27,30)
InChIKeyIAPSGBRDSPMJNK-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.94
Rot. Bonds7

About 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide

2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide (PubChem CID 86941603) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
PubChem CID86941603
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide
SMILESCC1CCCC(OCC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)C1
InChIInChI=1S/C25H34N4O2/c1-20-5-4-6-23(17-20)31-19-25(30)27-22-10-8-21(9-11-22)18-28-13-15-29(16-14-28)24-7-2-3-12-26-24/h2-3,7-12,20,23H,4-6,13-19H2,1H3,(H,27,30)
InChIKeyIAPSGBRDSPMJNK-UHFFFAOYSA-N
XLogP3.94
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide (CID 86941603) is 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide is CC1CCCC(OCC(=O)Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide?
The InChIKey is IAPSGBRDSPMJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-20-5-4-6-23(17-20)31-19-25(30)27-22-10-8-21(9-11-22)18-28-13-15-29(16-14-28)24-7-2-3-12-26-24/h2-3,7-12,20,23H,4-6,13-19H2,1H3,(H,27,30).
What are the key properties of 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide?
2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-N-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]acetamide is sourced from PubChem (CID 86941603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).