[3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate

C20H28N4O3 — CID 171456887

IUPAC[3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate
SMILESCC(C)(C)C(COC(N)=O)C1CCN(c2ccnc3[nH]c(=O)ccc23)CC1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)15(12-27-19(21)26)13-7-10-24(11-8-13)16-6-9-22-18-14(16)4-5-17(25)23-18/h4-6,9,13,15H,7-8,10-12H2,1-3H3,(H2,21,26)(H,22,23,25)
InChIKeyZCGGQPMZLYQKMM-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.90
Rot. Bonds4

About [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate

[3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate (PubChem CID 171456887) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate.

Molecular Properties

Compound Name[3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate
PubChem CID171456887
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name[3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate
SMILESCC(C)(C)C(COC(N)=O)C1CCN(c2ccnc3[nH]c(=O)ccc23)CC1
InChIInChI=1S/C20H28N4O3/c1-20(2,3)15(12-27-19(21)26)13-7-10-24(11-8-13)16-6-9-22-18-14(16)4-5-17(25)23-18/h4-6,9,13,15H,7-8,10-12H2,1-3H3,(H2,21,26)(H,22,23,25)
InChIKeyZCGGQPMZLYQKMM-UHFFFAOYSA-N
XLogP2.90
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate with MolForge

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Related Compounds

[tert-butyl-[2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]ethyl]sulfamoyl] carbamate
CID 174230473
2-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 166901181
2-[1-(7-aminoquinolin-4-yl)piperidin-4-yl]acetamide
CID 103000800
[1-(8-methyl-7-oxo-1,8-naphthyridin-4-yl)piperidin-4-yl]methylsulfamoyl carbamate
CID 175581455
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
tert-butyl N-[2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propyl]-N-sulfamoylcarbamate
CID 175192711
cyclopropyl-[4-[2-[4-(2-hydroxypropan-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazin-1-yl]methanone
CID 138570476
1-[4-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl]propan-1-one
CID 138570218
tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563752
5-[4-(aminomethyl)piperidin-1-yl]-1-methyl-1,8-naphthyridin-2-one
CID 164563721
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate?
The IUPAC name of [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate (CID 171456887) is [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate.
What is the SMILES notation for [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate?
The canonical SMILES for [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate is CC(C)(C)C(COC(N)=O)C1CCN(c2ccnc3[nH]c(=O)ccc23)CC1.
What is the InChIKey of [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate?
The InChIKey is ZCGGQPMZLYQKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)15(12-27-19(21)26)13-7-10-24(11-8-13)16-6-9-22-18-14(16)4-5-17(25)23-18/h4-6,9,13,15H,7-8,10-12H2,1-3H3,(H2,21,26)(H,22,23,25).
What are the key properties of [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate?
[3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate has a molecular weight of 372.47 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-2-[1-(7-oxo-8H-1,8-naphthyridin-4-yl)piperidin-4-yl]butyl] carbamate is sourced from PubChem (CID 171456887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).