(E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide

C22H26N2O — CID 8544564

IUPAC(E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H26N2O/c25-22(14-13-19-7-3-1-4-8-19)23-17-20-9-11-21(12-10-20)18-24-15-5-2-6-16-24/h1,3-4,7-14H,2,5-6,15-18H2,(H,23,25)/b14-13+
InChIKeyHTQSIIMYOPWNSI-BUHFOSPRSA-N
MW334.46 g/mol
LogP4.00
Rot. Bonds6

About (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide

(E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide (PubChem CID 8544564) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
PubChem CID8544564
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1)NCc1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C22H26N2O/c25-22(14-13-19-7-3-1-4-8-19)23-17-20-9-11-21(12-10-20)18-24-15-5-2-6-16-24/h1,3-4,7-14H,2,5-6,15-18H2,(H,23,25)/b14-13+
InChIKeyHTQSIIMYOPWNSI-BUHFOSPRSA-N
XLogP4.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-2-phenylethenyl]sulfonyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 27168672
(E)-3-(4-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 38740120
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 26447128
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 30863248
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 950916
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 68509262
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
2-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-phenylacetamide
CID 119867241
3-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 925582
(E)-3-(3-methoxyphenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 38740186
(E)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-phenylprop-2-enamide
CID 30505444

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide (CID 8544564) is (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide is O=C(/C=C/c1ccccc1)NCc1ccc(CN2CCCCC2)cc1.
What is the InChIKey of (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is HTQSIIMYOPWNSI-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(14-13-19-7-3-1-4-8-19)23-17-20-9-11-21(12-10-20)18-24-15-5-2-6-16-24/h1,3-4,7-14H,2,5-6,15-18H2,(H,23,25)/b14-13+.
What are the key properties of (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide?
(E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 334.46 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 8544564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).