(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one

C25H24N2O3 — CID 42532181

IUPAC(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
SMILESCOc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)/C=C/c4ccccn4)C3)ccc2c1
InChIInChI=1S/C25H24N2O3/c1-30-23-11-9-18-15-20(8-7-19(18)16-23)25(29)21-5-4-14-27(17-21)24(28)12-10-22-6-2-3-13-26-22/h2-3,6-13,15-16,21H,4-5,14,17H2,1H3/b12-10+/t21-/m1/s1
InChIKeyYOKQWFRFFQFMDQ-XMZCSZCVSA-N
MW400.48 g/mol
LogP4.38
Rot. Bonds5

About (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one

(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one (PubChem CID 42532181) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
PubChem CID42532181
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one
SMILESCOc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)/C=C/c4ccccn4)C3)ccc2c1
InChIInChI=1S/C25H24N2O3/c1-30-23-11-9-18-15-20(8-7-19(18)16-23)25(29)21-5-4-14-27(17-21)24(28)12-10-22-6-2-3-13-26-22/h2-3,6-13,15-16,21H,4-5,14,17H2,1H3/b12-10+/t21-/m1/s1
InChIKeyYOKQWFRFFQFMDQ-XMZCSZCVSA-N
XLogP4.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one with MolForge

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Related Compounds

(E)-3-pyridin-2-yl-1-[3-[3-(trifluoromethyl)benzoyl]piperidin-1-yl]prop-2-en-1-one
CID 45185730
1-[(E)-3-pyridin-2-ylprop-2-enoyl]piperidine-3-carboxylic acid
CID 167868580
N-(2,4-dimethoxyphenyl)-3-(6-methoxynaphthalene-2-carbonyl)piperidine-1-carboxamide
CID 45211600
(6-methoxynaphthalen-2-yl)-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 24791502
(6-methoxynaphthalen-2-yl)-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 26390778
1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidine-3-carboxylic acid
CID 24705129
[1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-(6-methoxynaphthalen-2-yl)methanone
CID 45228574
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
tert-butyl 3-(naphthalene-2-carbonyl)piperidine-1-carboxylate
CID 174881226
3-(4-methoxybenzoyl)-N-phenylpiperidine-1-carboxamide
CID 110394709
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one (CID 42532181) is (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one is COc1ccc2cc(C(=O)[C@@H]3CCCN(C(=O)/C=C/c4ccccn4)C3)ccc2c1.
What is the InChIKey of (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one?
The InChIKey is YOKQWFRFFQFMDQ-XMZCSZCVSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-30-23-11-9-18-15-20(8-7-19(18)16-23)25(29)21-5-4-14-27(17-21)24(28)12-10-22-6-2-3-13-26-22/h2-3,6-13,15-16,21H,4-5,14,17H2,1H3/b12-10+/t21-/m1/s1.
What are the key properties of (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one?
(E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one has a molecular weight of 400.48 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(3R)-3-(6-methoxynaphthalene-2-carbonyl)piperidin-1-yl]-3-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 42532181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).