(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide

C22H27N3O — CID 87045434

IUPAC(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)/C=C/c2ccncc2)cc1
InChIInChI=1S/C22H27N3O/c1-18-4-2-3-15-25(18)17-21-7-5-20(6-8-21)16-24-22(26)10-9-19-11-13-23-14-12-19/h5-14,18H,2-4,15-17H2,1H3,(H,24,26)/b10-9+
InChIKeyIOGSNZXYDMFHDQ-MDZDMXLPSA-N
MW349.48 g/mol
LogP3.79
Rot. Bonds6

About (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide

(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide (PubChem CID 87045434) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
PubChem CID87045434
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide
SMILESCC1CCCCN1Cc1ccc(CNC(=O)/C=C/c2ccncc2)cc1
InChIInChI=1S/C22H27N3O/c1-18-4-2-3-15-25(18)17-21-7-5-20(6-8-21)16-24-22(26)10-9-19-11-13-23-14-12-19/h5-14,18H,2-4,15-17H2,1H3,(H,24,26)/b10-9+
InChIKeyIOGSNZXYDMFHDQ-MDZDMXLPSA-N
XLogP3.79
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.79
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

2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 86990673
N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-2-ylprop-2-enamide
CID 103598117
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119845294
7-amino-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845230
6-acetamido-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]hexanamide
CID 47036113
(E)-3-phenyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]prop-2-enamide
CID 8544564
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-1-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124815803
N-[[4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 51948201
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-phenoxybutanamide
CID 55708491
4-[[4-[(2-methylpiperidin-1-yl)methyl]anilino]methyl]benzoic acid
CID 122029492
2,4-difluoro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55708339

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide (CID 87045434) is (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide is CC1CCCCN1Cc1ccc(CNC(=O)/C=C/c2ccncc2)cc1.
What is the InChIKey of (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
The InChIKey is IOGSNZXYDMFHDQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H27N3O/c1-18-4-2-3-15-25(18)17-21-7-5-20(6-8-21)16-24-22(26)10-9-19-11-13-23-14-12-19/h5-14,18H,2-4,15-17H2,1H3,(H,24,26)/b10-9+.
What are the key properties of (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide?
(E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide has a molecular weight of 349.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 87045434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).