tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate

C24H35BN4O4 — CID 90832305

IUPACtert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N(c1ccnc2cnc(B3OC(C)(C)C(C)(C)O3)cc12)C1CCCNC1
InChIInChI=1S/C24H35BN4O4/c1-22(2,3)31-21(30)29(16-9-8-11-26-14-16)19-10-12-27-18-15-28-20(13-17(18)19)25-32-23(4,5)24(6,7)33-25/h10,12-13,15-16,26H,8-9,11,14H2,1-7H3
InChIKeyTVMWUGRNWKCORU-UHFFFAOYSA-N
MW454.38 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate

tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate (PubChem CID 90832305) has the molecular formula C24H35BN4O4 and a molecular weight of 454.38 g/mol. Its IUPAC name is tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate
PubChem CID90832305
Molecular FormulaC24H35BN4O4
Molecular Weight454.38 g/mol
Exact Mass454.28
IUPAC Nametert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)N(c1ccnc2cnc(B3OC(C)(C)C(C)(C)O3)cc12)C1CCCNC1
InChIInChI=1S/C24H35BN4O4/c1-22(2,3)31-21(30)29(16-9-8-11-26-14-16)19-10-12-27-18-15-28-20(13-17(18)19)25-32-23(4,5)24(6,7)33-25/h10,12-13,15-16,26H,8-9,11,14H2,1-7H3
InChIKeyTVMWUGRNWKCORU-UHFFFAOYSA-N
XLogP3.42
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl N-(azepan-3-yl)-N-phenylcarbamate
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tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]carbamate
CID 148899735
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tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-[5-cyano-6-[4-(1-methylpiperidin-4-yl)anilino]pyrazin-2-yl]-N-piperidin-3-ylcarbamate
CID 118143117
tert-butyl N-benzyl-N-piperidin-3-ylcarbamate
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tert-butyl N-(2-chloro-7-methylquinazolin-4-yl)-N-pyrrolidin-3-ylcarbamate
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tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate
CID 156774724
tert-butyl N-[5-bromo-3-(butanoylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]carbamate
CID 90861443
tert-butyl N-[5-bromo-3-[(5-methylpyridine-3-carbonyl)amino]-1H-pyrrolo[2,3-b]pyridin-4-yl]-N-[(3R)-piperidin-3-yl]carbamate
CID 90885671

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate?
The IUPAC name of tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate (CID 90832305) is tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate is CC(C)(C)OC(=O)N(c1ccnc2cnc(B3OC(C)(C)C(C)(C)O3)cc12)C1CCCNC1.
What is the InChIKey of tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate?
The InChIKey is TVMWUGRNWKCORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35BN4O4/c1-22(2,3)31-21(30)29(16-9-8-11-26-14-16)19-10-12-27-18-15-28-20(13-17(18)19)25-32-23(4,5)24(6,7)33-25/h10,12-13,15-16,26H,8-9,11,14H2,1-7H3.
What are the key properties of tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate?
tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate has a molecular weight of 454.38 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-piperidin-3-yl-N-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,7-naphthyridin-4-yl]carbamate is sourced from PubChem (CID 90832305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).