[tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate

C20H29N5O5S — CID 174230473

IUPAC[tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate
SMILESCC(C)(C)N(CCC1CCN(c2ccnc3[nH]c(=O)ccc23)CC1)S(=O)(=O)OC(N)=O
InChIInChI=1S/C20H29N5O5S/c1-20(2,3)25(31(28,29)30-19(21)27)13-9-14-7-11-24(12-8-14)16-6-10-22-18-15(16)4-5-17(26)23-18/h4-6,10,14H,7-9,11-13H2,1-3H3,(H2,21,27)(H,22,23,26)
InChIKeyPIGYHZHUAVQPKS-UHFFFAOYSA-N
MW451.55 g/mol
LogP1.97
Rot. Bonds6

About [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate

[tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate (PubChem CID 174230473) has the molecular formula C20H29N5O5S and a molecular weight of 451.55 g/mol. Its IUPAC name is [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate.

Molecular Properties

Compound Name[tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate
PubChem CID174230473
Molecular FormulaC20H29N5O5S
Molecular Weight451.55 g/mol
Exact Mass451.19
IUPAC Name[tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate
SMILESCC(C)(C)N(CCC1CCN(c2ccnc3[nH]c(=O)ccc23)CC1)S(=O)(=O)OC(N)=O
InChIInChI=1S/C20H29N5O5S/c1-20(2,3)25(31(28,29)30-19(21)27)13-9-14-7-11-24(12-8-14)16-6-10-22-18-15(16)4-5-17(26)23-18/h4-6,10,14H,7-9,11-13H2,1-3H3,(H2,21,27)(H,22,23,26)
InChIKeyPIGYHZHUAVQPKS-UHFFFAOYSA-N
XLogP1.97
TPSA138.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate
CID 171456887
[1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate
CID 175581455
5-[4-(aminomethyl)piperidin-1-yl]-1-methyl-1,8-naphthyridin-2-one
CID 164563721
2-(1-quinolin-4-ylpiperidin-4-yl)ethanesulfonic acid
CID 175185586
1-methyl-4-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrazolo[3,4-b]pyridine
CID 155100110
2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
CID 103000800
2-[1-(7-oxo-8H-pyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]ethylphosphonic acid
CID 177376252
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975
2-[1-[2-(pyridin-4-ylamino)pyrimidin-4-yl]piperidin-4-yl]ethylsulfamoyl carbamate
CID 175042394
N-[2-[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl]-2-oxopropane-1-sulfonamide
CID 162190437
methyl (1-quinolin-4-ylpiperidin-4-yl)methanesulfonate
CID 175183982
cyclopropyl-[4-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138570476

Frequently Asked Questions

What is the IUPAC name of [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate?
The IUPAC name of [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate (CID 174230473) is [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate.
What is the SMILES notation for [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate?
The canonical SMILES for [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate is CC(C)(C)N(CCC1CCN(c2ccnc3[nH]c(=O)ccc23)CC1)S(=O)(=O)OC(N)=O.
What is the InChIKey of [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate?
The InChIKey is PIGYHZHUAVQPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5S/c1-20(2,3)25(31(28,29)30-19(21)27)13-9-14-7-11-24(12-8-14)16-6-10-22-18-15(16)4-5-17(26)23-18/h4-6,10,14H,7-9,11-13H2,1-3H3,(H2,21,27)(H,22,23,26).
What are the key properties of [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate?
[tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate has a molecular weight of 451.55 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate is sourced from PubChem (CID 174230473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).