(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide

C21H24N2O2 — CID 26520222

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-18-12-9-17(10-13-18)11-14-21(24)22-19-7-3-4-8-20(19)23-15-5-2-6-16-23/h3-4,7-14H,2,5-6,15-16H2,1H3,(H,22,24)/b14-11+
InChIKeyOBAZMIRLIFUFCB-SDNWHVSQSA-N
MW336.44 g/mol
LogP4.34
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide (PubChem CID 26520222) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
PubChem CID26520222
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C21H24N2O2/c1-25-18-12-9-17(10-13-18)11-14-21(24)22-19-7-3-4-8-20(19)23-15-5-2-6-16-23/h3-4,7-14H,2,5-6,15-16H2,1H3,(H,22,24)/b14-11+
InChIKeyOBAZMIRLIFUFCB-SDNWHVSQSA-N
XLogP4.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(2-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 74853242
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
N-cyclopropyl-4-[(E)-3-oxo-3-(2-piperidin-1-ylanilino)prop-1-enyl]benzamide
CID 46604384
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-3-phenyl-N-[(2-pyrrolidin-1-ylphenyl)carbamothioyl]prop-2-enamide
CID 1300388
(E)-N-[2-(azepan-1-yl)phenyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 24652753
2-(4-methoxyphenoxy)-N-(2-piperidin-1-ylphenyl)propanamide
CID 42935521
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
N-[2-(4-acetylpiperazin-1-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 71964937
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide (CID 26520222) is (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
The InChIKey is OBAZMIRLIFUFCB-SDNWHVSQSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-25-18-12-9-17(10-13-18)11-14-21(24)22-19-7-3-4-8-20(19)23-15-5-2-6-16-23/h3-4,7-14H,2,5-6,15-16H2,1H3,(H,22,24)/b14-11+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide is sourced from PubChem (CID 26520222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).