(2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one

C17H26N2O — CID 170050740

IUPAC(2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one
SMILESCCC(C)[C@@H](Cc1ccccc1)C(=O)N1CCNCC1
InChIInChI=1S/C17H26N2O/c1-3-14(2)16(13-15-7-5-4-6-8-15)17(20)19-11-9-18-10-12-19/h4-8,14,16,18H,3,9-13H2,1-2H3/t14?,16-/m1/s1
InChIKeyVVBQHXCZYMTBLY-BZSJEYESSA-N
MW274.41 g/mol
LogP2.32
Rot. Bonds5

About (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one

(2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one (PubChem CID 170050740) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one
PubChem CID170050740
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name(2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one
SMILESCCC(C)[C@@H](Cc1ccccc1)C(=O)N1CCNCC1
InChIInChI=1S/C17H26N2O/c1-3-14(2)16(13-15-7-5-4-6-8-15)17(20)19-11-9-18-10-12-19/h4-8,14,16,18H,3,9-13H2,1-2H3/t14?,16-/m1/s1
InChIKeyVVBQHXCZYMTBLY-BZSJEYESSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-1-piperazin-1-yl-2-sulfanylpropan-1-one
CID 82511771
2,3-diphenyl-1-piperazin-1-ylpropan-1-one
CID 57105688
2-phenyl-1-piperazin-1-ylpropan-1-one
CID 52983882
1-(1,4-diazepan-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 119414979
N-(2-benzylbutyl)piperazine-1-carboxamide
CID 131936268
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
N-(1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl)benzamide
CID 119400548
benzyl N-[(2S)-1-oxo-1-piperazin-1-ylpropan-2-yl]carbamate
CID 93481132
tert-butyl N-[(2S)-1-oxo-3-phenyl-1-piperazin-1-ylpropan-2-yl]carbamate
CID 14308226
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597
3-methyl-2-phenyl-1-piperazin-1-ylbutan-1-one
CID 82086271
3-(4-bromophenyl)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 82095106

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one?
The IUPAC name of (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one (CID 170050740) is (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one.
What is the SMILES notation for (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one?
The canonical SMILES for (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one is CCC(C)[C@@H](Cc1ccccc1)C(=O)N1CCNCC1.
What is the InChIKey of (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one?
The InChIKey is VVBQHXCZYMTBLY-BZSJEYESSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-14(2)16(13-15-7-5-4-6-8-15)17(20)19-11-9-18-10-12-19/h4-8,14,16,18H,3,9-13H2,1-2H3/t14?,16-/m1/s1.
What are the key properties of (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one?
(2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one has a molecular weight of 274.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-3-methyl-1-piperazin-1-ylpentan-1-one is sourced from PubChem (CID 170050740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).