N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

C16H31N3O2 — CID 60689929

IUPACN-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(CCO)CC1)C1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-2-19(15-6-4-3-5-7-15)16(21)14-18-10-8-17(9-11-18)12-13-20/h15,20H,2-14H2,1H3
InChIKeyONIXCKWLCOIIKV-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.78
Rot. Bonds6

About N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 60689929) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID60689929
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESCCN(C(=O)CN1CCN(CCO)CC1)C1CCCCC1
InChIInChI=1S/C16H31N3O2/c1-2-19(15-6-4-3-5-7-15)16(21)14-18-10-8-17(9-11-18)12-13-20/h15,20H,2-14H2,1H3
InChIKeyONIXCKWLCOIIKV-UHFFFAOYSA-N
XLogP0.78
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 60689929) is N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is CCN(C(=O)CN1CCN(CCO)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is ONIXCKWLCOIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-2-19(15-6-4-3-5-7-15)16(21)14-18-10-8-17(9-11-18)12-13-20/h15,20H,2-14H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 297.44 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60689929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).