N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide

C26H33N3O2 — CID 68649734

IUPACN-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1cccnc1)NCCCCCCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H33N3O2/c30-25(14-13-23-10-8-17-27-21-23)28-18-7-2-1-4-9-22-15-19-29(20-16-22)26(31)24-11-5-3-6-12-24/h3,5-6,8,10-14,17,21-22H,1-2,4,7,9,15-16,18-20H2,(H,28,30)
InChIKeyYNVDXMVUUBLCDC-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.71
Rot. Bonds10

About N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide

N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 68649734) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID68649734
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1cccnc1)NCCCCCCC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C26H33N3O2/c30-25(14-13-23-10-8-17-27-21-23)28-18-7-2-1-4-9-22-15-19-29(20-16-22)26(31)24-11-5-3-6-12-24/h3,5-6,8,10-14,17,21-22H,1-2,4,7,9,15-16,18-20H2,(H,28,30)
InChIKeyYNVDXMVUUBLCDC-UHFFFAOYSA-N
XLogP4.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide;hydrochloride
CID 146159435
(E)-N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 10150273
(Z)-N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 68649842
(E)-N-[4-(1-acetylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 10236764
[3-[4-[4-(3-pyridin-3-ylprop-2-enoylamino)butyl]piperidine-1-carbonyl]phenyl] carbamate
CID 175007745
methyl 3-amino-5-[4-[4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]butyl]piperidine-1-carbonyl]benzoate
CID 134458747
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
(E)-N-[4-[1-[1-[3-amino-5-(1-hydroxyethenyl)phenyl]ethenyl]piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 163468241
N-[4-(1-methylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 54177071
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide;7-benzyl-2,3-dihydroxy-6-methyl-4-propylnaphthalene-1-carboxylic acid
CID 44555179
(E)-N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-(3-nitrophenyl)prop-2-enamide
CID 52915387
N-[4-[1-(3-naphthalen-2-ylprop-2-enylsulfonyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 174371307

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide (CID 68649734) is N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide is O=C(C=Cc1cccnc1)NCCCCCCC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is YNVDXMVUUBLCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c30-25(14-13-23-10-8-17-27-21-23)28-18-7-2-1-4-9-22-15-19-29(20-16-22)26(31)24-11-5-3-6-12-24/h3,5-6,8,10-14,17,21-22H,1-2,4,7,9,15-16,18-20H2,(H,28,30).
What are the key properties of N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide?
N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 419.57 g/mol, XLogP of 4.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 68649734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).