1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C20H23N3O3 — CID 55809688

IUPAC1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)nc1
InChIInChI=1S/C20H23N3O3/c1-14-3-7-18(21-13-14)22-20(25)16-9-11-23(12-10-16)19(24)8-6-17-5-4-15(2)26-17/h3-8,13,16H,9-12H2,1-2H3,(H,21,22,25)/b8-6+
InChIKeyWZFHWTDMONIPNH-SOFGYWHQSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds4

About 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55809688) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55809688
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)nc1
InChIInChI=1S/C20H23N3O3/c1-14-3-7-18(21-13-14)22-20(25)16-9-11-23(12-10-16)19(24)8-6-17-5-4-15(2)26-17/h3-8,13,16H,9-12H2,1-2H3,(H,21,22,25)/b8-6+
InChIKeyWZFHWTDMONIPNH-SOFGYWHQSA-N
XLogP3.18
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
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

1-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55810038
N-(5-methyl-2-pyridinyl)-1-(2-propan-2-ylsulfonylpropanoyl)piperidine-4-carboxamide
CID 55993439
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one;hydrochloride
CID 91941429
1-[4-(aminomethyl)oxane-4-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120939525
1-(4-chlorobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 24980605
3-(5-methylfuran-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 4198718
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120643636
N-(5-methyl-2-pyridinyl)-1-(4-prop-2-enoxybenzoyl)piperidine-4-carboxamide
CID 55810081
3-[1-[3-(5-methylfuran-2-yl)prop-2-enoyl]piperidin-4-yl]propanoic acid
CID 76937489
1-(2-aminobenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119946668
N-(5-methyl-2-pyridinyl)-1-(2-pyrrolidin-2-ylacetyl)piperidine-4-carboxamide
CID 119855182
(E)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 51144922

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55809688) is 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)nc1.
What is the InChIKey of 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is WZFHWTDMONIPNH-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-3-7-18(21-13-14)22-20(25)16-9-11-23(12-10-16)19(24)8-6-17-5-4-15(2)26-17/h3-8,13,16H,9-12H2,1-2H3,(H,21,22,25)/b8-6+.
What are the key properties of 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(5-methylfuran-2-yl)prop-2-enoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55809688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).