(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide

C24H25N3O — CID 166217284

IUPAC(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H25N3O/c28-24(8-6-19-5-7-21-3-1-2-4-22(21)17-19)26-18-20-11-15-27(16-12-20)23-9-13-25-14-10-23/h1-10,13-14,17,20H,11-12,15-16,18H2,(H,26,28)/b8-6+
InChIKeyHAJPVYBKGINDFP-SOFGYWHQSA-N
MW371.48 g/mol
LogP4.28
Rot. Bonds5

About (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide

(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide (PubChem CID 166217284) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide
PubChem CID166217284
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2ccccc2c1)NCC1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H25N3O/c28-24(8-6-19-5-7-21-3-1-2-4-22(21)17-19)26-18-20-11-15-27(16-12-20)23-9-13-25-14-10-23/h1-10,13-14,17,20H,11-12,15-16,18H2,(H,26,28)/b8-6+
InChIKeyHAJPVYBKGINDFP-SOFGYWHQSA-N
XLogP4.28
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.28
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-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
3-phenyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 71960811
2-(3-methylphenoxy)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108751
1-[4-(4-hydroxypiperidin-1-yl)phenyl]-3-naphthalen-2-ylprop-2-en-1-one
CID 72688372
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 35211768
4-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]piperidine-1-carboxylic acid
CID 174690173
(E)-3-(3,4-dimethoxyphenyl)-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]prop-2-enamide
CID 121109116
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
(E)-N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 121109305

Frequently Asked Questions

What is the IUPAC name of (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide (CID 166217284) is (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide is O=C(/C=C/c1ccc2ccccc2c1)NCC1CCN(c2ccncc2)CC1.
What is the InChIKey of (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide?
The InChIKey is HAJPVYBKGINDFP-SOFGYWHQSA-N. The full InChI is InChI=1S/C24H25N3O/c28-24(8-6-19-5-7-21-3-1-2-4-22(21)17-19)26-18-20-11-15-27(16-12-20)23-9-13-25-14-10-23/h1-10,13-14,17,20H,11-12,15-16,18H2,(H,26,28)/b8-6+.
What are the key properties of (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide?
(E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide has a molecular weight of 371.48 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-naphthalen-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 166217284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).