N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide

C16H18N2O2 — CID 134556324

IUPACN-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide
SMILESC=C=CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-6-15(19)17-14-9-7-13(8-10-14)16(20)18-11-4-3-5-12-18/h6-10H,1,3-5,11-12H2,(H,17,19)
InChIKeyDURKWFYBHYKDES-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.59
Rot. Bonds3

About N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide

N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide (PubChem CID 134556324) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide.

Molecular Properties

Compound NameN-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide
PubChem CID134556324
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide
SMILESC=C=CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H18N2O2/c1-2-6-15(19)17-14-9-7-13(8-10-14)16(20)18-11-4-3-5-12-18/h6-10H,1,3-5,11-12H2,(H,17,19)
InChIKeyDURKWFYBHYKDES-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.59
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

1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
CID 134556387
N-[4-(azepane-1-carbonyl)phenyl]benzamide
CID 17153241
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
N-[4-(azepane-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 17199064
N,N'-bis[4-(piperidine-1-carbonyl)phenyl]nonanediamide
CID 43878316
4-(azepane-1-carbonyl)-N-(4-cyanophenyl)benzamide
CID 109049196
(E)-3-cyclopropyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]but-2-enamide
CID 167944713
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
N-[4-[4-(4-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl]prop-2-enamide
CID 166411881
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
azepan-1-yl-(4-hydrazinylphenyl)methanone
CID 62249723

Frequently Asked Questions

What is the IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide?
The IUPAC name of N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide (CID 134556324) is N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide.
What is the SMILES notation for N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide?
The canonical SMILES for N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide is C=C=CC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide?
The InChIKey is DURKWFYBHYKDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-2-6-15(19)17-14-9-7-13(8-10-14)16(20)18-11-4-3-5-12-18/h6-10H,1,3-5,11-12H2,(H,17,19).
What are the key properties of N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide?
N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide has a molecular weight of 270.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(piperidine-1-carbonyl)phenyl]buta-2,3-dienamide is sourced from PubChem (CID 134556324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).