N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C22H28N4O — CID 86983807

IUPACN-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(CN(C(=O)CN2CCN(c3ccccn3)CC2)C2CC2)c1
InChIInChI=1S/C22H28N4O/c1-18-5-4-6-19(15-18)16-26(20-8-9-20)22(27)17-24-11-13-25(14-12-24)21-7-2-3-10-23-21/h2-7,10,15,20H,8-9,11-14,16-17H2,1H3
InChIKeyKHQYGOFTBXSVTL-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.70
Rot. Bonds6

About N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 86983807) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID86983807
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCc1cccc(CN(C(=O)CN2CCN(c3ccccn3)CC2)C2CC2)c1
InChIInChI=1S/C22H28N4O/c1-18-5-4-6-19(15-18)16-26(20-8-9-20)22(27)17-24-11-13-25(14-12-24)21-7-2-3-10-23-21/h2-7,10,15,20H,8-9,11-14,16-17H2,1H3
InChIKeyKHQYGOFTBXSVTL-UHFFFAOYSA-N
XLogP2.70
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide 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-benzyl-N-cyclopropyl-2-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 86868293
N-methyl-N-(4-methylcyclohexyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 78808128
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119532295
N-(1,1-dioxothiolan-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78807778
N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 17431599
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-[(3-methylphenyl)methyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109347173
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
3-[cyclopropyl-[(4-methylphenyl)methyl]amino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55591126
N-piperidin-4-yl-N-propyl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 119823231

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 86983807) is N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is Cc1cccc(CN(C(=O)CN2CCN(c3ccccn3)CC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is KHQYGOFTBXSVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-18-5-4-6-19(15-18)16-26(20-8-9-20)22(27)17-24-11-13-25(14-12-24)21-7-2-3-10-23-21/h2-7,10,15,20H,8-9,11-14,16-17H2,1H3.
What are the key properties of N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 364.49 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 86983807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).