N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide

C13H27N3O2 — CID 124742766

IUPACN-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCN(C[C@H](C)O)[C@@H](C)C1
InChIInChI=1S/C13H27N3O2/c1-4-14-13(18)5-6-15-7-8-16(10-12(3)17)11(2)9-15/h11-12,17H,4-10H2,1-3H3,(H,14,18)/t11-,12-/m0/s1
InChIKeyYFQCKDWBLJGIOH-RYUDHWBXSA-N
MW257.38 g/mol
LogP-0.10
Rot. Bonds6

About N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide

N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide (PubChem CID 124742766) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide
PubChem CID124742766
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCN(C[C@H](C)O)[C@@H](C)C1
InChIInChI=1S/C13H27N3O2/c1-4-14-13(18)5-6-15-7-8-16(10-12(3)17)11(2)9-15/h11-12,17H,4-10H2,1-3H3,(H,14,18)/t11-,12-/m0/s1
InChIKeyYFQCKDWBLJGIOH-RYUDHWBXSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
4-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]butan-1-ol
CID 100842695
3-(4-amino-3-methylpiperidin-1-yl)-N-ethylpropanamide
CID 79868702
1-(2,3-dihydroindol-1-yl)-3-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
CID 95610917
(2R)-1-[(2S)-2-methyl-4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
CID 95610920
3-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 98767301
3-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95766552
2-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 98148838
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
(2S)-1-[(2R)-2-methyl-4-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]piperazin-1-yl]propan-2-ol
CID 124840080
(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 95610921

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide (CID 124742766) is N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide is CCNC(=O)CCN1CCN(C[C@H](C)O)[C@@H](C)C1.
What is the InChIKey of N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide?
The InChIKey is YFQCKDWBLJGIOH-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-14-13(18)5-6-15-7-8-16(10-12(3)17)11(2)9-15/h11-12,17H,4-10H2,1-3H3,(H,14,18)/t11-,12-/m0/s1.
What are the key properties of N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide?
N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide has a molecular weight of 257.38 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propanamide is sourced from PubChem (CID 124742766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).