(3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine

C21H26N4O — CID 141443264

IUPAC(3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine
SMILESCc1noc(C)c1CN[C@@H]1C[C@H](C)CN(c2cccc3ncccc23)C1
InChIInChI=1S/C21H26N4O/c1-14-10-17(23-11-19-15(2)24-26-16(19)3)13-25(12-14)21-8-4-7-20-18(21)6-5-9-22-20/h4-9,14,17,23H,10-13H2,1-3H3/t14-,17+/m0/s1
InChIKeyTZZQVFXCVJOGMY-WMLDXEAASA-N
MW350.47 g/mol
LogP3.84
Rot. Bonds4

About (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine

(3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine (PubChem CID 141443264) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine
PubChem CID141443264
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name(3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine
SMILESCc1noc(C)c1CN[C@@H]1C[C@H](C)CN(c2cccc3ncccc23)C1
InChIInChI=1S/C21H26N4O/c1-14-10-17(23-11-19-15(2)24-26-16(19)3)13-25(12-14)21-8-4-7-20-18(21)6-5-9-22-20/h4-9,14,17,23H,10-13H2,1-3H3/t14-,17+/m0/s1
InChIKeyTZZQVFXCVJOGMY-WMLDXEAASA-N
XLogP3.84
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine?
The IUPAC name of (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine (CID 141443264) is (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine.
What is the SMILES notation for (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine?
The canonical SMILES for (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine is Cc1noc(C)c1CN[C@@H]1C[C@H](C)CN(c2cccc3ncccc23)C1.
What is the InChIKey of (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine?
The InChIKey is TZZQVFXCVJOGMY-WMLDXEAASA-N. The full InChI is InChI=1S/C21H26N4O/c1-14-10-17(23-11-19-15(2)24-26-16(19)3)13-25(12-14)21-8-4-7-20-18(21)6-5-9-22-20/h4-9,14,17,23H,10-13H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine?
(3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine has a molecular weight of 350.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1-quinolin-5-ylpiperidin-3-amine is sourced from PubChem (CID 141443264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).