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

C15H27N3O2 — CID 97097131

IUPAC(2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N[C@H]1CCN(C(C)=O)C[C@H]1CC
InChIInChI=1S/C15H27N3O2/c1-5-8-16-15(20)11(3)17-14-7-9-18(12(4)19)10-13(14)6-2/h5,11,13-14,17H,1,6-10H2,2-4H3,(H,16,20)/t11-,13+,14-/m0/s1
InChIKeyIAMCOEVOZKNELK-YUTCNCBUSA-N
MW281.40 g/mol
LogP0.91
Rot. Bonds6

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

(2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide (PubChem CID 97097131) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide
PubChem CID97097131
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name(2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N[C@H]1CCN(C(C)=O)C[C@H]1CC
InChIInChI=1S/C15H27N3O2/c1-5-8-16-15(20)11(3)17-14-7-9-18(12(4)19)10-13(14)6-2/h5,11,13-14,17H,1,6-10H2,2-4H3,(H,16,20)/t11-,13+,14-/m0/s1
InChIKeyIAMCOEVOZKNELK-YUTCNCBUSA-N
XLogP0.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-allyl-N'-(2-methylcyclohexyl)ethanediamide
CID 2954922
2-[(1-acetyl-3-ethylpiperidin-4-yl)amino]-N-pentan-2-ylpropanamide
CID 71927682
(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
CID 119324158
Ethanediamide, N-allyl-N'-(4-piperidylmethyl))-
CID 565272
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 53515058
(2S)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 95152662
(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 95152663
(2R)-N-prop-2-enyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836820
(2S)-N-prop-2-enyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836821
N-allyl-N'-(2-ethylhexyl)ethanediamide
CID 2917280
2,2-dimethyl-N-[1-[2-oxo-2-(prop-2-enylamino)ethyl]piperidin-4-yl]propanamide
CID 3220787
N1-allyl-N2-((1-methylpiperidin-4-yl)methyl)oxalamide
CID 16886496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide (CID 97097131) is (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)N[C@H]1CCN(C(C)=O)C[C@H]1CC.
What is the InChIKey of (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide?
The InChIKey is IAMCOEVOZKNELK-YUTCNCBUSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-8-16-15(20)11(3)17-14-7-9-18(12(4)19)10-13(14)6-2/h5,11,13-14,17H,1,6-10H2,2-4H3,(H,16,20)/t11-,13+,14-/m0/s1.
What are the key properties of (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide?
(2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide has a molecular weight of 281.40 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(3R,4S)-1-acetyl-3-ethylpiperidin-4-yl]amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 97097131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).