(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone

C17H25N3O — CID 102776845

IUPAC(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
SMILESCC1CCNC1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-14-7-8-18-16(14)17(21)20-11-9-19(10-12-20)13-15-5-3-2-4-6-15/h2-6,14,16,18H,7-13H2,1H3
InChIKeyHOKNKFJBJXOXPS-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.33
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone

(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone (PubChem CID 102776845) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
PubChem CID102776845
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone
SMILESCC1CCNC1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-14-7-8-18-16(14)17(21)20-11-9-19(10-12-20)13-15-5-3-2-4-6-15/h2-6,14,16,18H,7-13H2,1H3
InChIKeyHOKNKFJBJXOXPS-UHFFFAOYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpyrrolidin-2-yl)-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methanone
CID 102778531
(4-benzyl-1,4-diazepan-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 119399417
(4-benzyl-1,4-diazepan-1-yl)-cyclopentylmethanone
CID 23939190
1-(4-benzylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504526
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120631483
(1S,6S)-6-(4-benzylpiperazine-1-carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 1149453
1-(4-benzylpiperazin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942723
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
5-(4-benzylpiperazine-1-carbonyl)-1-methylpyrrolidin-2-one
CID 110687274
(4-benzylpiperazin-1-yl)-(thian-3-yl)methanone
CID 110853087
(4-benzylpiperazin-1-yl)-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 7376452
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone (CID 102776845) is (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone is CC1CCNC1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone?
The InChIKey is HOKNKFJBJXOXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-7-8-18-16(14)17(21)20-11-9-19(10-12-20)13-15-5-3-2-4-6-15/h2-6,14,16,18H,7-13H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(3-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 102776845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).