[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid

C20H24N4O4 — CID 68610941

IUPAC[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid
SMILESCO[C@@H]1CN(CCn2c(=O)cc(C)c3ccc(C#N)cc32)CC[C@@H]1NC(=O)O
InChIInChI=1S/C20H24N4O4/c1-13-9-19(25)24(17-10-14(11-21)3-4-15(13)17)8-7-23-6-5-16(22-20(26)27)18(12-23)28-2/h3-4,9-10,16,18,22H,5-8,12H2,1-2H3,(H,26,27)/t16-,18+/m0/s1
InChIKeyURHTZYNSVSDPOP-FUHWJXTLSA-N
MW384.44 g/mol
LogP1.54
Rot. Bonds5

About [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid

[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid (PubChem CID 68610941) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid
PubChem CID68610941
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid
SMILESCO[C@@H]1CN(CCn2c(=O)cc(C)c3ccc(C#N)cc32)CC[C@@H]1NC(=O)O
InChIInChI=1S/C20H24N4O4/c1-13-9-19(25)24(17-10-14(11-21)3-4-15(13)17)8-7-23-6-5-16(22-20(26)27)18(12-23)28-2/h3-4,9-10,16,18,22H,5-8,12H2,1-2H3,(H,26,27)/t16-,18+/m0/s1
InChIKeyURHTZYNSVSDPOP-FUHWJXTLSA-N
XLogP1.54
TPSA107.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid?
The IUPAC name of [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid (CID 68610941) is [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid?
The canonical SMILES for [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid is CO[C@@H]1CN(CCn2c(=O)cc(C)c3ccc(C#N)cc32)CC[C@@H]1NC(=O)O.
What is the InChIKey of [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid?
The InChIKey is URHTZYNSVSDPOP-FUHWJXTLSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-13-9-19(25)24(17-10-14(11-21)3-4-15(13)17)8-7-23-6-5-16(22-20(26)27)18(12-23)28-2/h3-4,9-10,16,18,22H,5-8,12H2,1-2H3,(H,26,27)/t16-,18+/m0/s1.
What are the key properties of [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid?
[(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid has a molecular weight of 384.44 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-1-[2-(7-cyano-4-methyl-2-oxoquinolin-1-yl)ethyl]-3-methoxypiperidin-4-yl]carbamic acid is sourced from PubChem (CID 68610941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).