benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate

C26H33N5O3 — CID 11798310

IUPACbenzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate
SMILESCC(C)n1nc(C(=O)NCCN2CCC(NC(=O)OCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H33N5O3/c1-19(2)31-23-11-7-6-10-22(23)24(29-31)25(32)27-14-17-30-15-12-21(13-16-30)28-26(33)34-18-20-8-4-3-5-9-20/h3-11,19,21H,12-18H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyFEDKTGOMGVYEHB-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.74
Rot. Bonds8

About benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate

benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate (PubChem CID 11798310) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate
PubChem CID11798310
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Namebenzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate
SMILESCC(C)n1nc(C(=O)NCCN2CCC(NC(=O)OCc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C26H33N5O3/c1-19(2)31-23-11-7-6-10-22(23)24(29-31)25(32)27-14-17-30-15-12-21(13-16-30)28-26(33)34-18-20-8-4-3-5-9-20/h3-11,19,21H,12-18H2,1-2H3,(H,27,32)(H,28,33)
InChIKeyFEDKTGOMGVYEHB-UHFFFAOYSA-N
XLogP3.74
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate (CID 11798310) is benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate is CC(C)n1nc(C(=O)NCCN2CCC(NC(=O)OCc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate?
The InChIKey is FEDKTGOMGVYEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-19(2)31-23-11-7-6-10-22(23)24(29-31)25(32)27-14-17-30-15-12-21(13-16-30)28-26(33)34-18-20-8-4-3-5-9-20/h3-11,19,21H,12-18H2,1-2H3,(H,27,32)(H,28,33).
What are the key properties of benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate?
benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate has a molecular weight of 463.58 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[2-[(1-propan-2-ylindazole-3-carbonyl)amino]ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 11798310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).