(Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide

C17H25ClN4O — CID 177290484

IUPAC(Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide
SMILESCCCc1ncccc1CN1CCN(/C(C)=C(\Cl)C(N)=O)CC1
InChIInChI=1S/C17H25ClN4O/c1-3-5-15-14(6-4-7-20-15)12-21-8-10-22(11-9-21)13(2)16(18)17(19)23/h4,6-7H,3,5,8-12H2,1-2H3,(H2,19,23)/b16-13-
InChIKeyDRQFGLRDOZLNBE-SSZFMOIBSA-N
MW336.87 g/mol
LogP2.11
Rot. Bonds6

About (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide

(Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide (PubChem CID 177290484) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide.

Molecular Properties

Compound Name(Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide
PubChem CID177290484
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name(Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide
SMILESCCCc1ncccc1CN1CCN(/C(C)=C(\Cl)C(N)=O)CC1
InChIInChI=1S/C17H25ClN4O/c1-3-5-15-14(6-4-7-20-15)12-21-8-10-22(11-9-21)13(2)16(18)17(19)23/h4,6-7H,3,5,8-12H2,1-2H3,(H2,19,23)/b16-13-
InChIKeyDRQFGLRDOZLNBE-SSZFMOIBSA-N
XLogP2.11
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-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

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide?
The IUPAC name of (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide (CID 177290484) is (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide.
What is the SMILES notation for (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide?
The canonical SMILES for (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide is CCCc1ncccc1CN1CCN(/C(C)=C(\Cl)C(N)=O)CC1.
What is the InChIKey of (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide?
The InChIKey is DRQFGLRDOZLNBE-SSZFMOIBSA-N. The full InChI is InChI=1S/C17H25ClN4O/c1-3-5-15-14(6-4-7-20-15)12-21-8-10-22(11-9-21)13(2)16(18)17(19)23/h4,6-7H,3,5,8-12H2,1-2H3,(H2,19,23)/b16-13-.
What are the key properties of (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide?
(Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide has a molecular weight of 336.87 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide is sourced from PubChem (CID 177290484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).