N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide

C29H34N4O — CID 67937869

IUPACN-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
SMILESCN1CCN(CCCCNC(=O)C=Cc2cccnc2)C(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C29H34N4O/c1-32-21-22-33(20-9-8-19-31-28(34)17-16-25-11-10-18-30-23-25)29(24-32,26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-7,10-18,23H,8-9,19-22,24H2,1H3,(H,31,34)
InChIKeyGIPABESIJSOJOE-UHFFFAOYSA-N
MW454.62 g/mol
LogP4.18
Rot. Bonds9

About N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide

N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 67937869) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID67937869
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC NameN-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
SMILESCN1CCN(CCCCNC(=O)C=Cc2cccnc2)C(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C29H34N4O/c1-32-21-22-33(20-9-8-19-31-28(34)17-16-25-11-10-18-30-23-25)29(24-32,26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-7,10-18,23H,8-9,19-22,24H2,1H3,(H,31,34)
InChIKeyGIPABESIJSOJOE-UHFFFAOYSA-N
XLogP4.18
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 66594534
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 10894526
(E)-N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 15616538
(E)-N-[4-(1-acetylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 10236764
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595349
bis(N-[4-(4-benzhydryl-2-methylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide);hydrate
CID 173375719
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide;hydrochloride
CID 146159435
N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54388780
N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
CID 68649734

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide (CID 67937869) is N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide is CN1CCN(CCCCNC(=O)C=Cc2cccnc2)C(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is GIPABESIJSOJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c1-32-21-22-33(20-9-8-19-31-28(34)17-16-25-11-10-18-30-23-25)29(24-32,26-12-4-2-5-13-26)27-14-6-3-7-15-27/h2-7,10-18,23H,8-9,19-22,24H2,1H3,(H,31,34).
What are the key properties of N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide?
N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 454.62 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-2,2-diphenylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 67937869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).