(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide

C21H28N4O — CID 45169944

IUPAC(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
SMILESCN(C(=O)/C=C/c1cnn(C)c1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H28N4O/c1-23-16-19(15-22-23)10-11-21(26)24(2)20-9-6-13-25(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15-16,20H,6,9,12-14,17H2,1-2H3/b11-10+
InChIKeyWZGADGYMYPJTNS-ZHACJKMWSA-N
MW352.48 g/mol
LogP2.60
Rot. Bonds6

About (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide

(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide (PubChem CID 45169944) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
PubChem CID45169944
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide
SMILESCN(C(=O)/C=C/c1cnn(C)c1)C1CCCN(CCc2ccccc2)C1
InChIInChI=1S/C21H28N4O/c1-23-16-19(15-22-23)10-11-21(26)24(2)20-9-6-13-25(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15-16,20H,6,9,12-14,17H2,1-2H3/b11-10+
InChIKeyWZGADGYMYPJTNS-ZHACJKMWSA-N
XLogP2.60
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
(E)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 25385169
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
1-ethyl-N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-3-yl]pyrazole-4-carboxamide
CID 42510266
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921
N-methyl-N-[1-(2-phenylethyl)pyrrolidin-3-yl]adamantane-1-carboxamide
CID 18411925
N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide
CID 95718153
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-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide (CID 45169944) is (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide is CN(C(=O)/C=C/c1cnn(C)c1)C1CCCN(CCc2ccccc2)C1.
What is the InChIKey of (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide?
The InChIKey is WZGADGYMYPJTNS-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H28N4O/c1-23-16-19(15-22-23)10-11-21(26)24(2)20-9-6-13-25(17-20)14-12-18-7-4-3-5-8-18/h3-5,7-8,10-11,15-16,20H,6,9,12-14,17H2,1-2H3/b11-10+.
What are the key properties of (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide?
(E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide has a molecular weight of 352.48 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(1-methylpyrazol-4-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]prop-2-enamide is sourced from PubChem (CID 45169944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).