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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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).