3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

C19H29N3O — CID 120981580

IUPAC3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC(Cc2ccccc2)C1)N1CCNCC1
InChIInChI=1S/C19H29N3O/c23-19(22-13-9-20-10-14-22)8-12-21-11-4-7-18(16-21)15-17-5-2-1-3-6-17/h1-3,5-6,18,20H,4,7-16H2
InChIKeyBCLLOYLFORANNW-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.76
Rot. Bonds5

About 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one

3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (PubChem CID 120981580) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
PubChem CID120981580
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC(Cc2ccccc2)C1)N1CCNCC1
InChIInChI=1S/C19H29N3O/c23-19(22-13-9-20-10-14-22)8-12-21-11-4-7-18(16-21)15-17-5-2-1-3-6-17/h1-3,5-6,18,20H,4,7-16H2
InChIKeyBCLLOYLFORANNW-UHFFFAOYSA-N
XLogP1.76
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
1-[4-(3-oxo-3-piperazin-1-ylpropyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 120981256
3-(3-aminopiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82511431
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
1-(1,4-diazepan-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119418032
3-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981550
3-[3-(morpholin-4-ylmethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982627
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981575
3-[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 95707410
1-(4-benzylpiperazin-1-yl)-3-(1-propylpiperidin-3-yl)propan-1-one
CID 45196701

Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one (CID 120981580) is 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is O=C(CCN1CCCC(Cc2ccccc2)C1)N1CCNCC1.
What is the InChIKey of 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
The InChIKey is BCLLOYLFORANNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c23-19(22-13-9-20-10-14-22)8-12-21-11-4-7-18(16-21)15-17-5-2-1-3-6-17/h1-3,5-6,18,20H,4,7-16H2.
What are the key properties of 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one?
3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one has a molecular weight of 315.46 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120981580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).