(E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid

C15H18N2O4 — CID 102964358

IUPAC(E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
SMILESCOC1CCCN(C(=O)c2ccncc2/C=C/C(=O)O)C1
InChIInChI=1S/C15H18N2O4/c1-21-12-3-2-8-17(10-12)15(20)13-6-7-16-9-11(13)4-5-14(18)19/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19)/b5-4+
InChIKeyIYGOPIRSCCGDRU-SNAWJCMRSA-N
MW290.32 g/mol
LogP1.43
Rot. Bonds4

About (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid

(E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid (PubChem CID 102964358) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
PubChem CID102964358
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name(E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
SMILESCOC1CCCN(C(=O)c2ccncc2/C=C/C(=O)O)C1
InChIInChI=1S/C15H18N2O4/c1-21-12-3-2-8-17(10-12)15(20)13-6-7-16-9-11(13)4-5-14(18)19/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19)/b5-4+
InChIKeyIYGOPIRSCCGDRU-SNAWJCMRSA-N
XLogP1.43
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]prop-2-enoic acid
CID 77135116
(E)-3-[4-(piperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 66472882
(E)-3-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 106673598
(E)-3-[4-(3-methoxypiperidine-1-carbonyl)phenyl]prop-2-enoic acid
CID 102964360
[3-(3-aminoprop-1-ynyl)-4-pyridinyl]-(3-methoxypiperidin-1-yl)methanone
CID 102964074
3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 77135309
(E)-3-[4-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-pyridinyl]prop-2-enoic acid
CID 102789104
(2-amino-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 102969309
(E)-3-[4-(3-methoxypyrrolidine-1-carbonyl)-2-methylphenyl]prop-2-enoic acid
CID 103537455
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid (CID 102964358) is (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid is COC1CCCN(C(=O)c2ccncc2/C=C/C(=O)O)C1.
What is the InChIKey of (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is IYGOPIRSCCGDRU-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-12-3-2-8-17(10-12)15(20)13-6-7-16-9-11(13)4-5-14(18)19/h4-7,9,12H,2-3,8,10H2,1H3,(H,18,19)/b5-4+.
What are the key properties of (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid?
(E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 102964358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).