tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C26H42N4O4 — CID 176925297

IUPACtert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCN1CCC(Oc2ccnc3c2C(CCN2CCCCOC2)N(C(=O)OC(C)(C)C)CC3)CC1
InChIInChI=1S/C26H42N4O4/c1-26(2,3)34-25(31)30-17-10-21-24(22(30)11-16-29-13-5-6-18-32-19-29)23(7-12-27-21)33-20-8-14-28(4)15-9-20/h7,12,20,22H,5-6,8-11,13-19H2,1-4H3
InChIKeyINHDBWMFWSKMGN-UHFFFAOYSA-N
MW474.65 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 176925297) has the molecular formula C26H42N4O4 and a molecular weight of 474.65 g/mol. Its IUPAC name is tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID176925297
Molecular FormulaC26H42N4O4
Molecular Weight474.65 g/mol
Exact Mass474.32
IUPAC Nametert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCN1CCC(Oc2ccnc3c2C(CCN2CCCCOC2)N(C(=O)OC(C)(C)C)CC3)CC1
InChIInChI=1S/C26H42N4O4/c1-26(2,3)34-25(31)30-17-10-21-24(22(30)11-16-29-13-5-6-18-32-19-29)23(7-12-27-21)33-20-8-14-28(4)15-9-20/h7,12,20,22H,5-6,8-11,13-19H2,1-4H3
InChIKeyINHDBWMFWSKMGN-UHFFFAOYSA-N
XLogP3.85
TPSA67.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 5-(2-hydroxyethyl)-4-[(2-phenylmethoxycarbonyl-2-azaspiro[3.3]heptan-6-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176925224
tert-butyl 4-[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-4-yl]oxy-5-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176924473
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 8-methoxy-1-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)pyrido[4,3-b]indole-5-carboxylate
CID 137356596
3-chloro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-4-carboxylic acid
CID 130406230
tert-butyl 4-[1-[3-chloro-6-[2-[(3,3-difluorocyclobutyl)-propan-2-ylcarbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]piperidin-4-yl]oxy-5-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176923838
tert-butyl 7-(4-piperidin-1-ylbutoxy)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 59640456
tert-butyl 4-(1-methylpiperidin-4-yl)oxypiperidine-1-carboxylate
CID 59506078
tert-butyl (2S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)piperazine-1-carboxylate
CID 66826381
tert-butyl (3S)-3-[4-(2-morpholin-4-ylethoxy)phenoxy]pyrrolidine-1-carboxylate
CID 165147867
tert-butyl 8-(aminomethyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 171786850
tert-butyl 2-[[4-[3-cyano-4-(oxan-4-yloxy)phenyl]-2-pyridinyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 90332130

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 176925297) is tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CN1CCC(Oc2ccnc3c2C(CCN2CCCCOC2)N(C(=O)OC(C)(C)C)CC3)CC1.
What is the InChIKey of tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is INHDBWMFWSKMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O4/c1-26(2,3)34-25(31)30-17-10-21-24(22(30)11-16-29-13-5-6-18-32-19-29)23(7-12-27-21)33-20-8-14-28(4)15-9-20/h7,12,20,22H,5-6,8-11,13-19H2,1-4H3.
What are the key properties of tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 474.65 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylpiperidin-4-yl)oxy-5-[2-(1,3-oxazepan-3-yl)ethyl]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 176925297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).