(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide

C17H22N2O2 — CID 134556387

IUPAC(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
SMILESCC/C=C/C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H22N2O2/c1-2-3-7-16(20)18-15-10-8-14(9-11-15)17(21)19-12-5-4-6-13-19/h3,7-11H,2,4-6,12-13H2,1H3,(H,18,20)/b7-3+
InChIKeyWJVJMWPOTPLEJW-XVNBXDOJSA-N
MW286.38 g/mol
LogP3.22
Rot. Bonds4

About (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide

(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide (PubChem CID 134556387) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
PubChem CID134556387
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
SMILESCC/C=C/C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C17H22N2O2/c1-2-3-7-16(20)18-15-10-8-14(9-11-15)17(21)19-12-5-4-6-13-19/h3,7-11H,2,4-6,12-13H2,1H3,(H,18,20)/b7-3+
InChIKeyWJVJMWPOTPLEJW-XVNBXDOJSA-N
XLogP3.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168019
N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide
CID 134556324
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
(E)-3-(2-methylphenyl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 24655371
(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide
CID 167944713
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]octanamide
CID 17196671
N-[4-(azepane-1-carbonyl)phenyl]-2-(dimethylamino)acetamide
CID 54843928
1-(4-methoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]urea
CID 1289713
2-(heptylamino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54814730

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide?
The IUPAC name of (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide (CID 134556387) is (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide.
What is the SMILES notation for (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide?
The canonical SMILES for (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide is CC/C=C/C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide?
The InChIKey is WJVJMWPOTPLEJW-XVNBXDOJSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-3-7-16(20)18-15-10-8-14(9-11-15)17(21)19-12-5-4-6-13-19/h3,7-11H,2,4-6,12-13H2,1H3,(H,18,20)/b7-3+.
What are the key properties of (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide?
(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide has a molecular weight of 286.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide is sourced from PubChem (CID 134556387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).