1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one

C27H37N3O — CID 45184042

IUPAC1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one
SMILESCc1ccccc1CN1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C27H37N3O/c1-23-8-5-6-12-26(23)22-29-15-7-11-25(21-29)13-14-27(31)30-18-16-28(17-19-30)20-24-9-3-2-4-10-24/h2-6,8-10,12,25H,7,11,13-22H2,1H3
InChIKeyYQENGNNQUJNFNI-UHFFFAOYSA-N
MW419.61 g/mol
LogP4.33
Rot. Bonds7

About 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one

1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one (PubChem CID 45184042) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one
PubChem CID45184042
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one
SMILESCc1ccccc1CN1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C27H37N3O/c1-23-8-5-6-12-26(23)22-29-15-7-11-25(21-29)13-14-27(31)30-18-16-28(17-19-30)20-24-9-3-2-4-10-24/h2-6,8-10,12,25H,7,11,13-22H2,1H3
InChIKeyYQENGNNQUJNFNI-UHFFFAOYSA-N
XLogP4.33
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.61
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one with MolForge

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
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CID 45196701
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
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CID 45188039
1-(4-benzylpiperazin-1-yl)-3-[1-(pyridin-3-ylmethyl)piperidin-3-yl]propan-1-one
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1-(4-benzyl-1,4-diazepan-1-yl)-3-cyclopentylpropan-1-one
CID 23768554
1-(4-benzylpiperazin-1-yl)-3-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]propan-1-one
CID 28922251
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]propan-1-one
CID 26398707
3-cyclopentyl-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 134021008
1-(4-benzylpiperazin-1-yl)-3-(1-piperidin-4-ylpiperidin-3-yl)propan-1-one;dihydrochloride
CID 154899721
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
3-[1-[[3-(2-methylphenyl)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one (CID 45184042) is 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one is Cc1ccccc1CN1CCCC(CCC(=O)N2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one?
The InChIKey is YQENGNNQUJNFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-23-8-5-6-12-26(23)22-29-15-7-11-25(21-29)13-14-27(31)30-18-16-28(17-19-30)20-24-9-3-2-4-10-24/h2-6,8-10,12,25H,7,11,13-22H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-[1-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one has a molecular weight of 419.61 g/mol, XLogP of 4.33, 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-[(2-methylphenyl)methyl]piperidin-3-yl]propan-1-one is sourced from PubChem (CID 45184042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).