[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone

C24H32N2O — CID 130269979

IUPAC[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
SMILESC[C@@H]1CN(C(=O)C23CC4CC5(C)CC(c6ccccc6)(C2)C45C3)C[C@H](C)N1
InChIInChI=1S/C24H32N2O/c1-16-11-26(12-17(2)25-16)20(27)22-10-19-9-21(3)13-23(14-22,24(19,21)15-22)18-7-5-4-6-8-18/h4-8,16-17,19,25H,9-15H2,1-3H3/t16-,17+,19?,21?,22?,23?,24?
InChIKeyNTLAUBYHQQIEBG-RZDIZPPOSA-N
MW364.53 g/mol
LogP3.73
Rot. Bonds2

About [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone

[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone (PubChem CID 130269979) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone.

Molecular Properties

Compound Name[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
PubChem CID130269979
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone
SMILESC[C@@H]1CN(C(=O)C23CC4CC5(C)CC(c6ccccc6)(C2)C45C3)C[C@H](C)N1
InChIInChI=1S/C24H32N2O/c1-16-11-26(12-17(2)25-16)20(27)22-10-19-9-21(3)13-23(14-22,24(19,21)15-22)18-7-5-4-6-8-18/h4-8,16-17,19,25H,9-15H2,1-3H3/t16-,17+,19?,21?,22?,23?,24?
InChIKeyNTLAUBYHQQIEBG-RZDIZPPOSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone?
The IUPAC name of [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone (CID 130269979) is [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone.
What is the SMILES notation for [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone?
The canonical SMILES for [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone is C[C@@H]1CN(C(=O)C23CC4CC5(C)CC(c6ccccc6)(C2)C45C3)C[C@H](C)N1.
What is the InChIKey of [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone?
The InChIKey is NTLAUBYHQQIEBG-RZDIZPPOSA-N. The full InChI is InChI=1S/C24H32N2O/c1-16-11-26(12-17(2)25-16)20(27)22-10-19-9-21(3)13-23(14-22,24(19,21)15-22)18-7-5-4-6-8-18/h4-8,16-17,19,25H,9-15H2,1-3H3/t16-,17+,19?,21?,22?,23?,24?.
What are the key properties of [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone?
[(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone has a molecular weight of 364.53 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-3,5-dimethylpiperazin-1-yl]-(5-methyl-3-phenyl-1-tetracyclo[5.2.1.03,8.05,8]decanyl)methanone is sourced from PubChem (CID 130269979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).