(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide

C22H27N3O — CID 45229832

IUPAC(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1cccnc1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H27N3O/c1-24(22(26)12-11-20-9-5-14-23-17-20)21-10-6-15-25(18-21)16-13-19-7-3-2-4-8-19/h2-5,7-9,11-12,14,17,21H,6,10,13,15-16,18H2,1H3/b12-11+
InChIKeyIYGQQGPQDRDOGC-VAWYXSNFSA-N
MW349.48 g/mol
LogP3.26
Rot. Bonds6

About (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide

(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 45229832) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
PubChem CID45229832
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1cccnc1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H27N3O/c1-24(22(26)12-11-20-9-5-14-23-17-20)21-10-6-15-25(18-21)16-13-19-7-3-2-4-8-19/h2-5,7-9,11-12,14,17,21H,6,10,13,15-16,18H2,1H3/b12-11+
InChIKeyIYGQQGPQDRDOGC-VAWYXSNFSA-N
XLogP3.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
CID 45169944
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
CID 45183595
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
3-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine
CID 56852589
4,4,4-trifluoro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]butanamide
CID 45222898

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide (CID 45229832) is (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide is CN(C(=O)/C=C/c1cccnc1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is IYGQQGPQDRDOGC-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24(22(26)12-11-20-9-5-14-23-17-20)21-10-6-15-25(18-21)16-13-19-7-3-2-4-8-19/h2-5,7-9,11-12,14,17,21H,6,10,13,15-16,18H2,1H3/b12-11+.
What are the key properties of (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 349.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 45229832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).