(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide

C22H26N2O2 — CID 34455096

IUPAC(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cccc(CN3CCCCC3)c2)c1
InChIInChI=1S/C22H26N2O2/c1-26-21-10-6-7-18(16-21)11-12-22(25)23-20-9-5-8-19(15-20)17-24-13-3-2-4-14-24/h5-12,15-16H,2-4,13-14,17H2,1H3,(H,23,25)/b12-11+
InChIKeyGQOPNXKMHKGKEO-VAWYXSNFSA-N
MW350.46 g/mol
LogP4.33
Rot. Bonds6

About (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide (PubChem CID 34455096) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
PubChem CID34455096
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2cccc(CN3CCCCC3)c2)c1
InChIInChI=1S/C22H26N2O2/c1-26-21-10-6-7-18(16-21)11-12-22(25)23-20-9-5-8-19(15-20)17-24-13-3-2-4-14-24/h5-12,15-16H,2-4,13-14,17H2,1H3,(H,23,25)/b12-11+
InChIKeyGQOPNXKMHKGKEO-VAWYXSNFSA-N
XLogP4.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.33
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

N-[3-[[3-(3-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 55864061
(E)-3-(3-methoxyphenyl)-N-(3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 7926226
(E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 38740186
(E)-N-[4-[1-(1-benzylpiperidine-3-carbonyl)piperidin-4-yl]phenyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 171683187
N-[3-(piperidin-1-ylmethyl)phenyl]-3-pyrazin-2-ylprop-2-enamide
CID 71889315
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
(E)-3-(3-methoxyphenyl)-N-(4-pyrrolidin-1-ylbutyl)prop-2-enamide
CID 27397147
(E)-3-(3-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)prop-2-enamide
CID 75460082
(E)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 7550935
(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(3-methoxyphenyl)prop-2-enamide
CID 40627773
(E)-1-(4-benzylpiperazin-1-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 2598370
(2S)-2-amino-3-(4-methoxyphenyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131950206

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide (CID 34455096) is (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2cccc(CN3CCCCC3)c2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is GQOPNXKMHKGKEO-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-21-10-6-7-18(16-21)11-12-22(25)23-20-9-5-8-19(15-20)17-24-13-3-2-4-14-24/h5-12,15-16H,2-4,13-14,17H2,1H3,(H,23,25)/b12-11+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 350.46 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-[3-(piperidin-1-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 34455096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).