[1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate

C16H21N5O5S — CID 175581455

IUPAC[1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate
SMILESCn1c(=O)ccc2c(N3CCC(CNS(=O)(=O)OC(N)=O)CC3)ccnc21
InChIInChI=1S/C16H21N5O5S/c1-20-14(22)3-2-12-13(4-7-18-15(12)20)21-8-5-11(6-9-21)10-19-27(24,25)26-16(17)23/h2-4,7,11,19H,5-6,8-10H2,1H3,(H2,17,23)
InChIKeyZMOIIMBGFNJRIT-UHFFFAOYSA-N
MW395.44 g/mol
LogP0.08
Rot. Bonds5

About [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate

[1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate (PubChem CID 175581455) has the molecular formula C16H21N5O5S and a molecular weight of 395.44 g/mol. Its IUPAC name is [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate.

Molecular Properties

Compound Name[1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate
PubChem CID175581455
Molecular FormulaC16H21N5O5S
Molecular Weight395.44 g/mol
Exact Mass395.13
IUPAC Name[1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate
SMILESCn1c(=O)ccc2c(N3CCC(CNS(=O)(=O)OC(N)=O)CC3)ccnc21
InChIInChI=1S/C16H21N5O5S/c1-20-14(22)3-2-12-13(4-7-18-15(12)20)21-8-5-11(6-9-21)10-19-27(24,25)26-16(17)23/h2-4,7,11,19H,5-6,8-10H2,1H3,(H2,17,23)
InChIKeyZMOIIMBGFNJRIT-UHFFFAOYSA-N
XLogP0.08
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[4-(aminomethyl)piperidin-1-yl]-1-methyl-1,8-naphthyridin-2-one
CID 164563721
[tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate
CID 174230473
1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
CID 155100110
2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethylsulfamoyl carbamate
CID 175042394
methyl (1-quinolin-4-ylpiperidin-4-yl)methanesulfonate
CID 175183982
2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
CID 103000800
[1-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-3-yl]methanamine
CID 83840473
[3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate
CID 171456887
N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
CID 162190437
2-(1-quinolin-4-ylpiperidin-4-yl)ethanesulfonic acid
CID 175185586
2-[4-(acetamidomethyl)piperidin-1-yl]pyridine-4-carboxamide
CID 72916320
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468

Frequently Asked Questions

What is the IUPAC name of [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate?
The IUPAC name of [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate (CID 175581455) is [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate.
What is the SMILES notation for [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate?
The canonical SMILES for [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate is Cn1c(=O)ccc2c(N3CCC(CNS(=O)(=O)OC(N)=O)CC3)ccnc21.
What is the InChIKey of [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate?
The InChIKey is ZMOIIMBGFNJRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O5S/c1-20-14(22)3-2-12-13(4-7-18-15(12)20)21-8-5-11(6-9-21)10-19-27(24,25)26-16(17)23/h2-4,7,11,19H,5-6,8-10H2,1H3,(H2,17,23).
What are the key properties of [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate?
[1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate has a molecular weight of 395.44 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate is sourced from PubChem (CID 175581455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).