tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate

C26H34N4O2 — CID 59159030

IUPACtert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C26H34N4O2/c1-26(2,3)32-25(31)27-15-20-6-4-7-21(13-20)17-30-11-5-8-22(18-30)12-19-9-10-24-23(14-19)16-28-29-24/h4,6-7,9-10,13-14,16,22H,5,8,11-12,15,17-18H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyHIJAOOXBAOYEEI-UHFFFAOYSA-N
MW434.58 g/mol
LogP5.04
Rot. Bonds6

About tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate

tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate (PubChem CID 59159030) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate
PubChem CID59159030
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Nametert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C26H34N4O2/c1-26(2,3)32-25(31)27-15-20-6-4-7-21(13-20)17-30-11-5-8-22(18-30)12-19-9-10-24-23(14-19)16-28-29-24/h4,6-7,9-10,13-14,16,22H,5,8,11-12,15,17-18H2,1-3H3,(H,27,31)(H,28,29)
InChIKeyHIJAOOXBAOYEEI-UHFFFAOYSA-N
XLogP5.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate with MolForge

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Related Compounds

5-[4-(4-Benzyl-piperidin-1-yl)-but-1-ynyl]-1H-indazole
CID 10688762
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CID 16661285
6-(4-ethylphenyl)-4-(1H-indazol-5-yl)pyrimidin-2(1H)-one
CID 24759479
4-(1h-Indazol-5-yl)-6-(4-piperazin-1-ylphenyl)pyrimidin-2(1h)-one
CID 24759685
4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995479
(5Z,8Z,11Z,14Z)-N-(1H-indazol-5-ylmethyl)icosa-5,8,11,14-tetraenamide
CID 130453312
N-(1H-indazol-5-ylmethyl)acetamide
CID 139515589
5-[3-(4-Benzyl-piperidin-1-yl)-prop-1-ynyl]-1H-indazole
CID 10758743
N-[[3-[[3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 25008496
tert-butyl (3-((3-((1H-indazol-5-yl)amino)piperidin-1-yl)methyl)benzyl)carbamate
CID 25008847
N-(1H-indazol-5-ylmethyl)-2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetamide
CID 10158859
tert-butyl (4-((3-((1H-indazol-5-yl)amino)piperidin-1-yl)methyl)benzyl)carbamate
CID 25009018

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate (CID 59159030) is tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(CN2CCCC(Cc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate?
The InChIKey is HIJAOOXBAOYEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-26(2,3)32-25(31)27-15-20-6-4-7-21(13-20)17-30-11-5-8-22(18-30)12-19-9-10-24-23(14-19)16-28-29-24/h4,6-7,9-10,13-14,16,22H,5,8,11-12,15,17-18H2,1-3H3,(H,27,31)(H,28,29).
What are the key properties of tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate?
tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate has a molecular weight of 434.58 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[[3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]carbamate is sourced from PubChem (CID 59159030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).