tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate

C19H28N4O2 — CID 75471093

IUPACtert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CCN1Cc1cccc2cn[nH]c12
InChIInChI=1S/C19H28N4O2/c1-13-10-16(21-18(24)25-19(2,3)4)8-9-23(13)12-15-7-5-6-14-11-20-22-17(14)15/h5-7,11,13,16H,8-10,12H2,1-4H3,(H,20,22)(H,21,24)
InChIKeyODBZZWLHHPRKIC-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.44
Rot. Bonds3

About tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate (PubChem CID 75471093) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate
PubChem CID75471093
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nametert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate
SMILESCC1CC(NC(=O)OC(C)(C)C)CCN1Cc1cccc2cn[nH]c12
InChIInChI=1S/C19H28N4O2/c1-13-10-16(21-18(24)25-19(2,3)4)8-9-23(13)12-15-7-5-6-14-11-20-22-17(14)15/h5-7,11,13,16H,8-10,12H2,1-4H3,(H,20,22)(H,21,24)
InChIKeyODBZZWLHHPRKIC-UHFFFAOYSA-N
XLogP3.44
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate (CID 75471093) is tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate is CC1CC(NC(=O)OC(C)(C)C)CCN1Cc1cccc2cn[nH]c12.
What is the InChIKey of tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate?
The InChIKey is ODBZZWLHHPRKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-10-16(21-18(24)25-19(2,3)4)8-9-23(13)12-15-7-5-6-14-11-20-22-17(14)15/h5-7,11,13,16H,8-10,12H2,1-4H3,(H,20,22)(H,21,24).
What are the key properties of tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate has a molecular weight of 344.46 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1H-indazol-7-ylmethyl)-2-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 75471093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).