(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide

C21H24N2O2 — CID 127217554

IUPAC(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)NC1CCNCC1
InChIInChI=1S/C21H24N2O2/c24-21(23-19-12-14-22-15-13-19)11-8-17-6-9-20(10-7-17)25-16-18-4-2-1-3-5-18/h1-11,19,22H,12-16H2,(H,23,24)/b11-8+
InChIKeyDELYIXVRSIIFJQ-DHZHZOJOSA-N
MW336.44 g/mol
LogP3.15
Rot. Bonds6

About (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide

(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide (PubChem CID 127217554) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide
PubChem CID127217554
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide
SMILESO=C(/C=C/c1ccc(OCc2ccccc2)cc1)NC1CCNCC1
InChIInChI=1S/C21H24N2O2/c24-21(23-19-12-14-22-15-13-19)11-8-17-6-9-20(10-7-17)25-16-18-4-2-1-3-5-18/h1-11,19,22H,12-16H2,(H,23,24)/b11-8+
InChIKeyDELYIXVRSIIFJQ-DHZHZOJOSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.15
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

3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(E)-3-(4-ethoxyphenyl)-N-pyrrolidin-3-ylprop-2-enamide
CID 82176955
N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 72689163
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(E)-N-cyclopentyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 51058234
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
(E)-N-cyclohexyl-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188929
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 18278824
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-N-hydroxy-3-[4-[1-methoxy-2-(4-phenylmethoxyphenyl)ethyl]phenyl]prop-2-enamide
CID 10408871
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013
4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide?
The IUPAC name of (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide (CID 127217554) is (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide?
The canonical SMILES for (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide is O=C(/C=C/c1ccc(OCc2ccccc2)cc1)NC1CCNCC1.
What is the InChIKey of (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide?
The InChIKey is DELYIXVRSIIFJQ-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-21(23-19-12-14-22-15-13-19)11-8-17-6-9-20(10-7-17)25-16-18-4-2-1-3-5-18/h1-11,19,22H,12-16H2,(H,23,24)/b11-8+.
What are the key properties of (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide?
(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide is sourced from PubChem (CID 127217554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).