N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide

C16H26N4O2 — CID 175743984

IUPACN-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide
SMILESCCC(=O)N[C@H](CO)c1cccc(N2CCN(CC)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-3-16(22)18-14(12-21)13-6-5-7-15(17-13)20-10-8-19(4-2)9-11-20/h5-7,14,21H,3-4,8-12H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyZLMWIKQDEOETAK-CQSZACIVSA-N
MW306.41 g/mol
LogP0.78
Rot. Bonds6

About N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide

N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide (PubChem CID 175743984) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide
PubChem CID175743984
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide
SMILESCCC(=O)N[C@H](CO)c1cccc(N2CCN(CC)CC2)n1
InChIInChI=1S/C16H26N4O2/c1-3-16(22)18-14(12-21)13-6-5-7-15(17-13)20-10-8-19(4-2)9-11-20/h5-7,14,21H,3-4,8-12H2,1-2H3,(H,18,22)/t14-/m1/s1
InChIKeyZLMWIKQDEOETAK-CQSZACIVSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-(6-fluoro-2-pyridinyl)piperazine
CID 61230129
2-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]propan-2-ol
CID 170257240
(2S)-2-amino-2-(6-pyrrolidin-1-yl-2-pyridinyl)ethanol
CID 96862845
1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one
CID 102546296
2-[4-chloro-6-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(1,2-diphenylethyl)acetamide
CID 3463956
2-[4-[6-(propylamino)-2-pyridinyl]piperazin-1-yl]ethanol
CID 80779096
3,6,9-triethyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-triene
CID 59119738
2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-N-(1-phenylbutyl)acetamide
CID 86868261
2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683
N-(2,6-diethylphenyl)-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858113
6-(4-ethylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360588
methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate
CID 97280710

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The IUPAC name of N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide (CID 175743984) is N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide.
What is the SMILES notation for N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The canonical SMILES for N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide is CCC(=O)N[C@H](CO)c1cccc(N2CCN(CC)CC2)n1.
What is the InChIKey of N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide?
The InChIKey is ZLMWIKQDEOETAK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-3-16(22)18-14(12-21)13-6-5-7-15(17-13)20-10-8-19(4-2)9-11-20/h5-7,14,21H,3-4,8-12H2,1-2H3,(H,18,22)/t14-/m1/s1.
What are the key properties of N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide?
N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide is sourced from PubChem (CID 175743984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).