2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide

C16H26N4O2 — CID 97027064

IUPAC2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide
SMILESCC[C@H]1CN(CC(=O)Nc2ccncc2)CCN1C[C@@H](C)O
InChIInChI=1S/C16H26N4O2/c1-3-15-11-19(8-9-20(15)10-13(2)21)12-16(22)18-14-4-6-17-7-5-14/h4-7,13,15,21H,3,8-12H2,1-2H3,(H,17,18,22)/t13-,15+/m1/s1
InChIKeyFCYLWKNIXXQWKE-HIFRSBDPSA-N
MW306.41 g/mol
LogP0.80
Rot. Bonds6

About 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide

2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide (PubChem CID 97027064) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide
PubChem CID97027064
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide
SMILESCC[C@H]1CN(CC(=O)Nc2ccncc2)CCN1C[C@@H](C)O
InChIInChI=1S/C16H26N4O2/c1-3-15-11-19(8-9-20(15)10-13(2)21)12-16(22)18-14-4-6-17-7-5-14/h4-7,13,15,21H,3,8-12H2,1-2H3,(H,17,18,22)/t13-,15+/m1/s1
InChIKeyFCYLWKNIXXQWKE-HIFRSBDPSA-N
XLogP0.80
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 100839085
2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 98767284
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95602370
2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 98767316
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 98768752
2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98148838
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 111497018
3-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]benzoic acid
CID 122029016
N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95978180
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide
CID 119918337
2-[3-(methylamino)piperidin-1-yl]-N-pyridin-4-ylacetamide;dihydrochloride
CID 119918336

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide (CID 97027064) is 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide is CC[C@H]1CN(CC(=O)Nc2ccncc2)CCN1C[C@@H](C)O.
What is the InChIKey of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide?
The InChIKey is FCYLWKNIXXQWKE-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-15-11-19(8-9-20(15)10-13(2)21)12-16(22)18-14-4-6-17-7-5-14/h4-7,13,15,21H,3,8-12H2,1-2H3,(H,17,18,22)/t13-,15+/m1/s1.
What are the key properties of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide?
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide has a molecular weight of 306.41 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 97027064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).