N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide

C23H30N4O — CID 126539469

IUPACN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccn1
InChIInChI=1S/C23H30N4O/c1-2-22(28)27(21-10-6-7-13-24-21)19-23(11-12-23)26-16-14-25(15-17-26)18-20-8-4-3-5-9-20/h3-10,13H,2,11-12,14-19H2,1H3
InChIKeyJXIUOVYAORJYHE-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.17
Rot. Bonds7

About N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide

N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide (PubChem CID 126539469) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide
PubChem CID126539469
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide
SMILESCCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccn1
InChIInChI=1S/C23H30N4O/c1-2-22(28)27(21-10-6-7-13-24-21)19-23(11-12-23)26-16-14-25(15-17-26)18-20-8-4-3-5-9-20/h3-10,13H,2,11-12,14-19H2,1H3
InChIKeyJXIUOVYAORJYHE-UHFFFAOYSA-N
XLogP3.17
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide 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 N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide?
The IUPAC name of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide (CID 126539469) is N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide is CCC(=O)N(CC1(N2CCN(Cc3ccccc3)CC2)CC1)c1ccccn1.
What is the InChIKey of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide?
The InChIKey is JXIUOVYAORJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-2-22(28)27(21-10-6-7-13-24-21)19-23(11-12-23)26-16-14-25(15-17-26)18-20-8-4-3-5-9-20/h3-10,13H,2,11-12,14-19H2,1H3.
What are the key properties of N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide?
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide has a molecular weight of 378.52 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 126539469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).