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

C22H27N3O — CID 45187894

IUPAC(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccccn1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H27N3O/c1-24(22(26)13-12-20-10-5-6-15-23-20)21-11-7-16-25(18-21)17-14-19-8-3-2-4-9-19/h2-6,8-10,12-13,15,21H,7,11,14,16-18H2,1H3/b13-12+
InChIKeyDNVJTVVMVQXGKG-OUKQBFOZSA-N
MW349.48 g/mol
LogP3.26
Rot. Bonds6

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

(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide (PubChem CID 45187894) 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-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
PubChem CID45187894
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
SMILESCN(C(=O)/C=C/c1ccccn1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C22H27N3O/c1-24(22(26)13-12-20-10-5-6-15-23-20)21-11-7-16-25(18-21)17-14-19-8-3-2-4-9-19/h2-6,8-10,12-13,15,21H,7,11,14,16-18H2,1H3/b13-12+
InChIKeyDNVJTVVMVQXGKG-OUKQBFOZSA-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-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 45229832
(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
CID 45169944
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
N-methyl-3-(4-oxoquinazolin-3-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45241139
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]quinoxaline-5-carboxamide
CID 42095635
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 25383007
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 45246349

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide (CID 45187894) is (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide is CN(C(=O)/C=C/c1ccccn1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide?
The InChIKey is DNVJTVVMVQXGKG-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H27N3O/c1-24(22(26)13-12-20-10-5-6-15-23-20)21-11-7-16-25(18-21)17-14-19-8-3-2-4-9-19/h2-6,8-10,12-13,15,21H,7,11,14,16-18H2,1H3/b13-12+.
What are the key properties of (E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide?
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-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-2-ylprop-2-enamide is sourced from PubChem (CID 45187894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).