2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide

C17H33N3O2 — CID 164630681

IUPAC2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide
SMILESCCCN(C(=O)CN1CCN(CC)CC1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H33N3O2/c1-3-9-20(15-7-5-6-8-16(15)21)17(22)14-19-12-10-18(4-2)11-13-19/h15-16,21H,3-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyIZGQZAMQEMYBRC-HOTGVXAUSA-N
MW311.47 g/mol
LogP1.17
Rot. Bonds6

About 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide

2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide (PubChem CID 164630681) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide
PubChem CID164630681
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide
SMILESCCCN(C(=O)CN1CCN(CC)CC1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C17H33N3O2/c1-3-9-20(15-7-5-6-8-16(15)21)17(22)14-19-12-10-18(4-2)11-13-19/h15-16,21H,3-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyIZGQZAMQEMYBRC-HOTGVXAUSA-N
XLogP1.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide (CID 164630681) is 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide is CCCN(C(=O)CN1CCN(CC)CC1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide?
The InChIKey is IZGQZAMQEMYBRC-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-3-9-20(15-7-5-6-8-16(15)21)17(22)14-19-12-10-18(4-2)11-13-19/h15-16,21H,3-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide?
2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide has a molecular weight of 311.47 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]-N-propylacetamide is sourced from PubChem (CID 164630681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).