(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide

C29H32N4O — CID 66595349

IUPAC(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCCCN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C29H32N4O/c34-28(14-13-23-8-7-15-30-22-23)31-16-5-6-17-32-18-20-33(21-19-32)29-26-11-3-1-9-24(26)25-10-2-4-12-27(25)29/h1-4,7-15,22,29H,5-6,16-21H2,(H,31,34)/b14-13-
InChIKeyTUZOVDPUVJVOFJ-YPKPFQOOSA-N
MW452.60 g/mol
LogP4.38
Rot. Bonds8

About (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide

(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 66595349) has the molecular formula C29H32N4O and a molecular weight of 452.60 g/mol. Its IUPAC name is (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID66595349
Molecular FormulaC29H32N4O
Molecular Weight452.60 g/mol
Exact Mass452.26
IUPAC Name(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C\c1cccnc1)NCCCCN1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C29H32N4O/c34-28(14-13-23-8-7-15-30-22-23)31-16-5-6-17-32-18-20-33(21-19-32)29-26-11-3-1-9-24(26)25-10-2-4-12-27(25)29/h1-4,7-15,22,29H,5-6,16-21H2,(H,31,34)/b14-13-
InChIKeyTUZOVDPUVJVOFJ-YPKPFQOOSA-N
XLogP4.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.38
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'}

Analyze (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-pyridin-3-yl-N-[4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butyl]prop-2-enamide
CID 68504453
(E)-N-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 15616538
N-[4-[1-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 66594534
N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54388780
(E)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 10894526
(Z)-N-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595400
(E)-N-[4-(1-acetylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 10236764
N-[4-(1-benzoylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide;hydrochloride
CID 146159435
N-[6-(1-benzoylpiperidin-4-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
CID 68649734
N-[4-(1-methylsulfonylpiperidin-4-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 54177071
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide (CID 66595349) is (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C\c1cccnc1)NCCCCN1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is TUZOVDPUVJVOFJ-YPKPFQOOSA-N. The full InChI is InChI=1S/C29H32N4O/c34-28(14-13-23-8-7-15-30-22-23)31-16-5-6-17-32-18-20-33(21-19-32)29-26-11-3-1-9-24(26)25-10-2-4-12-27(25)29/h1-4,7-15,22,29H,5-6,16-21H2,(H,31,34)/b14-13-.
What are the key properties of (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 452.60 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 66595349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).