N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide

C23H29N5O2 — CID 54388780

IUPACN-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESNc1ccccc1C(=O)N1CCN(CCCCNC(=O)C=Cc2cccnc2)CC1
InChIInChI=1S/C23H29N5O2/c24-21-8-2-1-7-20(21)23(30)28-16-14-27(15-17-28)13-4-3-12-26-22(29)10-9-19-6-5-11-25-18-19/h1-2,5-11,18H,3-4,12-17,24H2,(H,26,29)
InChIKeyVFDMQKPNEYXGKM-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.03
Rot. Bonds8

About N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide

N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 54388780) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID54388780
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
SMILESNc1ccccc1C(=O)N1CCN(CCCCNC(=O)C=Cc2cccnc2)CC1
InChIInChI=1S/C23H29N5O2/c24-21-8-2-1-7-20(21)23(30)28-16-14-27(15-17-28)13-4-3-12-26-22(29)10-9-19-6-5-11-25-18-19/h1-2,5-11,18H,3-4,12-17,24H2,(H,26,29)
InChIKeyVFDMQKPNEYXGKM-UHFFFAOYSA-N
XLogP2.03
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]-3-pyridin-3-ylprop-2-enamide
CID 66594534
(Z)-N-[4-[4-(9H-fluoren-9-yl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 66595349
(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-(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
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-(2-phenylethyl)piperidin-4-yl]butyl]-3-pyridin-3-ylprop-2-enamide
CID 54406074
(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
7-(3-pyridin-3-ylprop-2-enoylamino)heptanoic acid
CID 74872321
(Z)-N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 68649842

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide (CID 54388780) is N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide is Nc1ccccc1C(=O)N1CCN(CCCCNC(=O)C=Cc2cccnc2)CC1.
What is the InChIKey of N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is VFDMQKPNEYXGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c24-21-8-2-1-7-20(21)23(30)28-16-14-27(15-17-28)13-4-3-12-26-22(29)10-9-19-6-5-11-25-18-19/h1-2,5-11,18H,3-4,12-17,24H2,(H,26,29).
What are the key properties of N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide?
N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 407.52 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-aminobenzoyl)piperazin-1-yl]butyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 54388780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).