[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone

C18H24Cl2N2O — CID 164633107

IUPAC[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone
SMILESCC1(C)CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC[C@@H]1N
InChIInChI=1S/C18H24Cl2N2O/c1-17(2)11-22(9-6-15(17)21)16(23)18(7-3-8-18)12-4-5-13(19)14(20)10-12/h4-5,10,15H,3,6-9,11,21H2,1-2H3/t15-/m0/s1
InChIKeyNRRIGKQXQLRSMR-HNNXBMFYSA-N
MW355.31 g/mol
LogP4.00
Rot. Bonds2

About [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone

[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone (PubChem CID 164633107) has the molecular formula C18H24Cl2N2O and a molecular weight of 355.31 g/mol. Its IUPAC name is [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone.

Molecular Properties

Compound Name[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone
PubChem CID164633107
Molecular FormulaC18H24Cl2N2O
Molecular Weight355.31 g/mol
Exact Mass354.13
IUPAC Name[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone
SMILESCC1(C)CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC[C@@H]1N
InChIInChI=1S/C18H24Cl2N2O/c1-17(2)11-22(9-6-15(17)21)16(23)18(7-3-8-18)12-4-5-13(19)14(20)10-12/h4-5,10,15H,3,6-9,11,21H2,1-2H3/t15-/m0/s1
InChIKeyNRRIGKQXQLRSMR-HNNXBMFYSA-N
XLogP4.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone?
The IUPAC name of [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone (CID 164633107) is [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone.
What is the SMILES notation for [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone?
The canonical SMILES for [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone is CC1(C)CN(C(=O)C2(c3ccc(Cl)c(Cl)c3)CCC2)CC[C@@H]1N.
What is the InChIKey of [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone?
The InChIKey is NRRIGKQXQLRSMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O/c1-17(2)11-22(9-6-15(17)21)16(23)18(7-3-8-18)12-4-5-13(19)14(20)10-12/h4-5,10,15H,3,6-9,11,21H2,1-2H3/t15-/m0/s1.
What are the key properties of [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone?
[(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone has a molecular weight of 355.31 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-3,3-dimethylpiperidin-1-yl]-[1-(3,4-dichlorophenyl)cyclobutyl]methanone is sourced from PubChem (CID 164633107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).