(E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide

C21H24N2O3 — CID 155514323

IUPAC(E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(O)c1)Nc1cccc(OCC2CCNCC2)c1
InChIInChI=1S/C21H24N2O3/c24-19-5-1-3-16(13-19)7-8-21(25)23-18-4-2-6-20(14-18)26-15-17-9-11-22-12-10-17/h1-8,13-14,17,22,24H,9-12,15H2,(H,23,25)/b8-7+
InChIKeyULBWMLZVPVXAKP-BQYQJAHWSA-N
MW352.43 g/mol
LogP3.42
Rot. Bonds6

About (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide

(E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 155514323) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide
PubChem CID155514323
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1cccc(O)c1)Nc1cccc(OCC2CCNCC2)c1
InChIInChI=1S/C21H24N2O3/c24-19-5-1-3-16(13-19)7-8-21(25)23-18-4-2-6-20(14-18)26-15-17-9-11-22-12-10-17/h1-8,13-14,17,22,24H,9-12,15H2,(H,23,25)/b8-7+
InChIKeyULBWMLZVPVXAKP-BQYQJAHWSA-N
XLogP3.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(piperidin-4-ylmethoxy)phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide;hydrochloride
CID 155515673
N-[3-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]acetamide
CID 86321166
3-[[(E)-3-(3-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 11962227
(E)-N-[3-(2-methylprop-2-enoxy)phenyl]-3-phenylprop-2-enamide
CID 17122405
(E)-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3-phenylprop-2-enamide
CID 52700184
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 135337273
N-[3-(4-chlorobutoxy)phenyl]-3-phenylprop-2-enamide
CID 142433214
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
3-(4-hydroxyphenyl)-N-(3-octadecoxyphenyl)prop-2-enamide
CID 54182223
4-[3-(piperidin-4-ylmethoxy)anilino]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzamide
CID 162348631
4-[(E)-3-[3-(cyanomethoxy)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55800283

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide (CID 155514323) is (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1cccc(O)c1)Nc1cccc(OCC2CCNCC2)c1.
What is the InChIKey of (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is ULBWMLZVPVXAKP-BQYQJAHWSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-19-5-1-3-16(13-19)7-8-21(25)23-18-4-2-6-20(14-18)26-15-17-9-11-22-12-10-17/h1-8,13-14,17,22,24H,9-12,15H2,(H,23,25)/b8-7+.
What are the key properties of (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide?
(E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 352.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-hydroxyphenyl)-N-[3-(piperidin-4-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 155514323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).