1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone

C25H28N2O — CID 143412464

IUPAC1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone
SMILESC[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)C(Cc2ccccc2)CN1C
InChIInChI=1S/C25H28N2O/c1-19-17-27(24(18-26(19)2)15-20-8-4-3-5-9-20)25(28)16-21-12-13-22-10-6-7-11-23(22)14-21/h3-14,19,24H,15-18H2,1-2H3/t19-,24?/m0/s1
InChIKeyULFYHKMMQHJBSM-XGLRFROISA-N
MW372.51 g/mol
LogP4.16
Rot. Bonds4

About 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone

1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone (PubChem CID 143412464) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone
PubChem CID143412464
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone
SMILESC[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)C(Cc2ccccc2)CN1C
InChIInChI=1S/C25H28N2O/c1-19-17-27(24(18-26(19)2)15-20-8-4-3-5-9-20)25(28)16-21-12-13-22-10-6-7-11-23(22)14-21/h3-14,19,24H,15-18H2,1-2H3/t19-,24?/m0/s1
InChIKeyULFYHKMMQHJBSM-XGLRFROISA-N
XLogP4.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[(2S,5R)-5-benzyl-1-(3-methylbenzoyl)-4-(2-naphthalen-2-ylacetyl)piperazin-2-yl]propyl]guanidine
CID 89377046
2-[3-[(2S,5R)-5-benzyl-4-(2-naphthalen-2-ylacetyl)-1-[(2-phenylphenyl)methyl]piperazin-2-yl]propyl]guanidine
CID 12000914
(3S,8aR)-3-methyl-2-(2-naphthalen-2-ylacetyl)-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-4-one
CID 137344097
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
2-[3-[(2S,5R)-5-benzyl-1-[[3-(4-chlorophenyl)phenyl]methyl]-4-(2-naphthalen-2-ylacetyl)piperazin-2-yl]propyl]guanidine
CID 12000913
1-(4-chloro-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 114682890
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
2-[3-[(2S,5R)-5-benzyl-1-[3-(3,4-dichlorophenyl)benzoyl]-4-(2-naphthalen-2-ylacetyl)piperazin-2-yl]propyl]guanidine
CID 12000824
1-(2-benzyl-4-cyclopropylpiperazin-1-yl)-2-(3-methylphenyl)ethanone
CID 90567156
(3S,4S)-1-(2-naphthalen-2-ylacetyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949274
(2R)-2-benzyl-1-methylaziridine
CID 87174257
1-[(2R,5S)-5-[3-(1-aminoethenylamino)propyl]-2-benzyl-4-[3-(3,4-dichlorophenyl)benzoyl]piperazin-1-yl]-2-naphthalen-2-ylethanone
CID 89376985

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone (CID 143412464) is 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone is C[C@H]1CN(C(=O)Cc2ccc3ccccc3c2)C(Cc2ccccc2)CN1C.
What is the InChIKey of 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone?
The InChIKey is ULFYHKMMQHJBSM-XGLRFROISA-N. The full InChI is InChI=1S/C25H28N2O/c1-19-17-27(24(18-26(19)2)15-20-8-4-3-5-9-20)25(28)16-21-12-13-22-10-6-7-11-23(22)14-21/h3-14,19,24H,15-18H2,1-2H3/t19-,24?/m0/s1.
What are the key properties of 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone?
1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone has a molecular weight of 372.51 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2-benzyl-4,5-dimethylpiperazin-1-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 143412464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).