N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide

C14H27N3O2 — CID 140936829

IUPACN-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CCC(CO)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-16-6-8-17(9-7-16)10-14(19)15-13-4-2-12(11-18)3-5-13/h12-13,18H,2-11H2,1H3,(H,15,19)
InChIKeyZDCDXEUKNKXWJH-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.10
Rot. Bonds4

About N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 140936829) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID140936829
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NC2CCC(CO)CC2)CC1
InChIInChI=1S/C14H27N3O2/c1-16-6-8-17(9-7-16)10-14(19)15-13-4-2-12(11-18)3-5-13/h12-13,18H,2-11H2,1H3,(H,15,19)
InChIKeyZDCDXEUKNKXWJH-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 140936829) is N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NC2CCC(CO)CC2)CC1.
What is the InChIKey of N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is ZDCDXEUKNKXWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-16-6-8-17(9-7-16)10-14(19)15-13-4-2-12(11-18)3-5-13/h12-13,18H,2-11H2,1H3,(H,15,19).
What are the key properties of N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 269.39 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)cyclohexyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 140936829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).