2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C23H31N5O — CID 120755838

IUPAC2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CCNCC1c1cccnc1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H31N5O/c29-23(18-28-13-10-25-16-22(28)21-4-3-9-24-15-21)26-14-19-5-7-20(8-6-19)17-27-11-1-2-12-27/h3-9,15,22,25H,1-2,10-14,16-18H2,(H,26,29)
InChIKeyPQMDUQXJOTUPJM-UHFFFAOYSA-N
MW393.54 g/mol
LogP1.94
Rot. Bonds7

About 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 120755838) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID120755838
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CCNCC1c1cccnc1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C23H31N5O/c29-23(18-28-13-10-25-16-22(28)21-4-3-9-24-15-21)26-14-19-5-7-20(8-6-19)17-27-11-1-2-12-27/h3-9,15,22,25H,1-2,10-14,16-18H2,(H,26,29)
InChIKeyPQMDUQXJOTUPJM-UHFFFAOYSA-N
XLogP1.94
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]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-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755244
N-[(4-methylphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754234
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120754481
N-(benzylcarbamoyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755361
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755646
N-[(1-phenylpyrazol-4-yl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120754244
2-[2-(4-ethylphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 120758254
N-(2,6-dichlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755673
N-[(3-ethoxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755961
N-(2-chlorophenyl)-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide;hydrochloride
CID 120755903
methyl 4-[(2-pyridin-3-ylpiperazin-1-yl)methyl]benzoate;hydrochloride
CID 120767725
N-[(2-cyclopentyloxyphenyl)methyl]-2-(2-pyridin-3-ylpiperazin-1-yl)acetamide
CID 120755780

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 120755838) is 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(CN1CCNCC1c1cccnc1)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is PQMDUQXJOTUPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c29-23(18-28-13-10-25-16-22(28)21-4-3-9-24-15-21)26-14-19-5-7-20(8-6-19)17-27-11-1-2-12-27/h3-9,15,22,25H,1-2,10-14,16-18H2,(H,26,29).
What are the key properties of 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 393.54 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 120755838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).