N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide

C22H28ClN5O3 — CID 4253083

IUPACN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCN(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)c1cnccn1
InChIInChI=1S/C22H28ClN5O3/c1-31-15-3-9-28(22(30)20-17-24-7-8-25-20)10-6-21(29)27-13-11-26(12-14-27)19-5-2-4-18(23)16-19/h2,4-5,7-8,16-17H,3,6,9-15H2,1H3
InChIKeyQXWXZCZDCVJIES-UHFFFAOYSA-N
MW445.95 g/mol
LogP2.35
Rot. Bonds9

About N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide (PubChem CID 4253083) has the molecular formula C22H28ClN5O3 and a molecular weight of 445.95 g/mol. Its IUPAC name is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
PubChem CID4253083
Molecular FormulaC22H28ClN5O3
Molecular Weight445.95 g/mol
Exact Mass445.19
IUPAC NameN-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
SMILESCOCCCN(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)c1cnccn1
InChIInChI=1S/C22H28ClN5O3/c1-31-15-3-9-28(22(30)20-17-24-7-8-25-20)10-6-21(29)27-13-11-26(12-14-27)19-5-2-4-18(23)16-19/h2,4-5,7-8,16-17H,3,6,9-15H2,1H3
InChIKeyQXWXZCZDCVJIES-UHFFFAOYSA-N
XLogP2.35
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.95
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide 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

N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)-5-methylpyrazine-2-carboxamide
CID 5127582
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 4253080
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide
CID 42783180
N-(3-ethoxypropyl)-N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783381
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 4091593
N-(2-methoxyethyl)-5-methyl-N-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrazine-2-carboxamide
CID 4302470
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-cyclopropyl-5-methylpyrazine-2-carboxamide
CID 1026482
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)acetamide
CID 113159858
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide
CID 3593463
N-(3-methoxypropyl)-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 42782929
ethyl 4-[3-[3-methoxypropyl-(5-methylpyrazine-2-carbonyl)amino]propanoyl]piperazine-1-carboxylate
CID 42782941
N-[(4-fluorophenyl)methyl]-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]pyrazine-2-carboxamide
CID 42783239

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The IUPAC name of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide (CID 4253083) is N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide is COCCCN(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)C(=O)c1cnccn1.
What is the InChIKey of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide?
The InChIKey is QXWXZCZDCVJIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN5O3/c1-31-15-3-9-28(22(30)20-17-24-7-8-25-20)10-6-21(29)27-13-11-26(12-14-27)19-5-2-4-18(23)16-19/h2,4-5,7-8,16-17H,3,6,9-15H2,1H3.
What are the key properties of N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide?
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide has a molecular weight of 445.95 g/mol, XLogP of 2.35, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(3-methoxypropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 4253083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).