[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone

C22H22N2O — CID 151542372

IUPAC[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCNC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H22N2O/c25-22(21-12-6-10-18-9-4-5-11-20(18)21)24-14-13-23-16-19(24)15-17-7-2-1-3-8-17/h1-12,19,23H,13-16H2/t19-/m0/s1
InChIKeyPYSZLRJFRQIMHM-IBGZPJMESA-N
MW330.43 g/mol
LogP3.50
Rot. Bonds3

About [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone

[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone (PubChem CID 151542372) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone
PubChem CID151542372
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone
SMILESO=C(c1cccc2ccccc12)N1CCNC[C@@H]1Cc1ccccc1
InChIInChI=1S/C22H22N2O/c25-22(21-12-6-10-18-9-4-5-11-20(18)21)24-14-13-23-16-19(24)15-17-7-2-1-3-8-17/h1-12,19,23H,13-16H2/t19-/m0/s1
InChIKeyPYSZLRJFRQIMHM-IBGZPJMESA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-benzylpiperazin-1-yl]-(2-phenylphenyl)methanone
CID 25265687
(2S)-2-benzylpiperazine-1-carboxylic acid
CID 141413078
naphthalen-1-yl-[2-[(1-tritylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 54522686
(2-benzylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 76587190
[(2R)-2-benzylpiperazin-1-yl]-(5-methyl-1,2-diphenylpyrrol-3-yl)methanone
CID 59324752
[(2R)-2-benzylpiperazin-1-yl]-(2-phenylpyrazol-3-yl)methanone
CID 25265689
2-amino-1-(2-benzylpiperazin-1-yl)-3-hydroxypropan-1-one
CID 110480760
ethyl 2-benzylpiperazine-1-carboxylate
CID 70103496
(2-benzylpiperazin-1-yl)-(1-tert-butyl-5-phenylpyrazol-4-yl)methanone
CID 68986060
(2-benzylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 82247957
prop-2-enyl 2-benzylpiperazine-1-carboxylate
CID 82245927
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone (CID 151542372) is [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone is O=C(c1cccc2ccccc12)N1CCNC[C@@H]1Cc1ccccc1.
What is the InChIKey of [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone?
The InChIKey is PYSZLRJFRQIMHM-IBGZPJMESA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(21-12-6-10-18-9-4-5-11-20(18)21)24-14-13-23-16-19(24)15-17-7-2-1-3-8-17/h1-12,19,23H,13-16H2/t19-/m0/s1.
What are the key properties of [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone?
[(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone has a molecular weight of 330.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-benzylpiperazin-1-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 151542372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).