(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide

C15H20N2O2 — CID 103866686

IUPAC(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@H]2CCCNC2)cc1
InChIInChI=1S/C15H20N2O2/c1-19-14-7-4-12(5-8-14)6-9-15(18)17-13-3-2-10-16-11-13/h4-9,13,16H,2-3,10-11H2,1H3,(H,17,18)/b9-6+/t13-/m0/s1
InChIKeyGCJMLZOBXNLHFA-PPGNKHEKSA-N
MW260.34 g/mol
LogP1.58
Rot. Bonds4

About (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide (PubChem CID 103866686) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
PubChem CID103866686
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N[C@H]2CCCNC2)cc1
InChIInChI=1S/C15H20N2O2/c1-19-14-7-4-12(5-8-14)6-9-15(18)17-13-3-2-10-16-11-13/h4-9,13,16H,2-3,10-11H2,1H3,(H,17,18)/b9-6+/t13-/m0/s1
InChIKeyGCJMLZOBXNLHFA-PPGNKHEKSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82176955
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
N-(3-hydroxycyclobutyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 77104857
5-(4-methoxyphenyl)-N-(2-oxoazepan-4-yl)penta-2,4-dienamide
CID 54490680
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 76941549
3-(4-methoxyphenoxy)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119424848
(E)-N-[(3R)-piperidin-3-yl]-3-thiophen-2-ylprop-2-enamide
CID 104645422
2-(4-methoxyphenyl)sulfanyl-N-piperidin-3-ylacetamide;hydrochloride
CID 119428950
N-[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]-3-(4-methoxyphenyl)prop-2-enamide
CID 162976381
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide;hydrochloride
CID 119426453

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide (CID 103866686) is (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide is COc1ccc(/C=C/C(=O)N[C@H]2CCCNC2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide?
The InChIKey is GCJMLZOBXNLHFA-PPGNKHEKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-7-4-12(5-8-14)6-9-15(18)17-13-3-2-10-16-11-13/h4-9,13,16H,2-3,10-11H2,1H3,(H,17,18)/b9-6+/t13-/m0/s1.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-[(3S)-piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 103866686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).