1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one

C22H35N3O — CID 45196701

IUPAC1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
SMILESCCCN1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O/c1-2-12-23-13-6-9-21(19-23)10-11-22(26)25-16-14-24(15-17-25)18-20-7-4-3-5-8-20/h3-5,7-8,21H,2,6,9-19H2,1H3
InChIKeyDLKIOSKZLUWQIN-UHFFFAOYSA-N
MW357.54 g/mol
LogP3.23
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one

1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one (PubChem CID 45196701) has the molecular formula C22H35N3O and a molecular weight of 357.54 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
PubChem CID45196701
Molecular FormulaC22H35N3O
Molecular Weight357.54 g/mol
Exact Mass357.28
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
SMILESCCCN1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O/c1-2-12-23-13-6-9-21(19-23)10-11-22(26)25-16-14-24(15-17-25)18-20-7-4-3-5-8-20/h3-5,7-8,21H,2,6,9-19H2,1H3
InChIKeyDLKIOSKZLUWQIN-UHFFFAOYSA-N
XLogP3.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.54
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one 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

1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45184042
1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
CID 45189885
1-(4-benzylpiperazin-1-yl)-3-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]propan-1-one
CID 45188039
1-(4-benzylpiperazin-1-yl)-3-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 45187773
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one
CID 26398707
1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride
CID 154899721
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-(4-benzylpiperazin-1-yl)-3-[1-[3-(2-methylimidazol-1-yl)propanoyl]piperidin-3-yl]propan-1-one
CID 45184157
1-(4-benzylpiperazin-1-yl)-3-[1-(cyclopentene-1-carbonyl)piperidin-3-yl]propan-1-one
CID 45205436
1-(4-benzylpiperazin-1-yl)-3-[1-(2-ethyl-5-methylpyrazole-3-carbonyl)piperidin-3-yl]propan-1-one
CID 45190289

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one (CID 45196701) is 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one is CCCN1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one?
The InChIKey is DLKIOSKZLUWQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O/c1-2-12-23-13-6-9-21(19-23)10-11-22(26)25-16-14-24(15-17-25)18-20-7-4-3-5-8-20/h3-5,7-8,21H,2,6,9-19H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one has a molecular weight of 357.54 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one is sourced from PubChem (CID 45196701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).