2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C25H34N4O — CID 30863248

IUPAC2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C25H34N4O/c30-25(21-29-16-14-28(15-17-29)19-23-6-2-1-3-7-23)26-18-22-8-10-24(11-9-22)20-27-12-4-5-13-27/h1-3,6-11H,4-5,12-21H2,(H,26,30)
InChIKeyRXFKNSKMHUZJLS-UHFFFAOYSA-N
MW406.57 g/mol
LogP2.72
Rot. Bonds8

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

2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 30863248) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID30863248
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C25H34N4O/c30-25(21-29-16-14-28(15-17-29)19-23-6-2-1-3-7-23)26-18-22-8-10-24(11-9-22)20-27-12-4-5-13-27/h1-3,6-11H,4-5,12-21H2,(H,26,30)
InChIKeyRXFKNSKMHUZJLS-UHFFFAOYSA-N
XLogP2.72
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-oxo-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]piperidine-4-carboxylic acid
CID 119907519
N-benzyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 30636341
2-(2-oxo-1-pyridinyl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 24643030
N-[4-[[[2-(4-benzylpiperazin-1-yl)acetyl]amino]methyl]phenyl]furan-2-carboxamide
CID 32731119
2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 18137664
3-benzylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767349
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
N-benzyl-2-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 137341250
3-benzylsulfanyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767858
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 17466380
3-phenylsulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46766988

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 30863248) is 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is RXFKNSKMHUZJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O/c30-25(21-29-16-14-28(15-17-29)19-23-6-2-1-3-7-23)26-18-22-8-10-24(11-9-22)20-27-12-4-5-13-27/h1-3,6-11H,4-5,12-21H2,(H,26,30).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 30863248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).