(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide

C17H33N3O2 — CID 98847905

IUPAC(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide
SMILESCC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NCCC(C)C
InChIInChI=1S/C17H33N3O2/c1-6-15-11-20(14(5)21)10-8-16(15)19-13(4)17(22)18-9-7-12(2)3/h12-13,15-16,19H,6-11H2,1-5H3,(H,18,22)/t13-,15-,16+/m1/s1
InChIKeyHJAATLDMCLVATI-BMFZPTHFSA-N
MW311.47 g/mol
LogP1.77
Rot. Bonds7

About (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide

(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide (PubChem CID 98847905) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide
PubChem CID98847905
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide
SMILESCC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NCCC(C)C
InChIInChI=1S/C17H33N3O2/c1-6-15-11-20(14(5)21)10-8-16(15)19-13(4)17(22)18-9-7-12(2)3/h12-13,15-16,19H,6-11H2,1-5H3,(H,18,22)/t13-,15-,16+/m1/s1
InChIKeyHJAATLDMCLVATI-BMFZPTHFSA-N
XLogP1.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide
CID 97097131
(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(thiophen-2-ylmethyl)propanamide
CID 98791446
N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373502
N-(3-methylbutyl)-2-[(2-methyloxolan-3-yl)amino]propanamide
CID 82726185
2-[(2,4-dimethylcyclohexyl)amino]-N-(3-methylbutyl)propanamide
CID 63995484
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
CID 105363972
1-[(3R,4R)-3-ethyl-4-[[(1S)-1-naphthalen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 97097185
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
CID 114506515
4-(1-hydroxyethyl)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 111437840
2-(1-acetyl-3-ethylpiperidin-4-yl)-N-propylacetamide
CID 73139163
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
1-[4-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-3-ethylpiperidin-1-yl]ethanone
CID 75373846

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide (CID 98847905) is (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide is CC[C@@H]1CN(C(C)=O)CC[C@@H]1N[C@H](C)C(=O)NCCC(C)C.
What is the InChIKey of (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide?
The InChIKey is HJAATLDMCLVATI-BMFZPTHFSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-6-15-11-20(14(5)21)10-8-16(15)19-13(4)17(22)18-9-7-12(2)3/h12-13,15-16,19H,6-11H2,1-5H3,(H,18,22)/t13-,15-,16+/m1/s1.
What are the key properties of (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide?
(2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide has a molecular weight of 311.47 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 98847905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).