N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide

C20H29N5O2 — CID 10499481

IUPACN-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(=O)NC1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1
InChIInChI=1S/C20H29N5O2/c1-14(2)25-18-7-5-4-6-17(18)19(23-25)20(27)21-10-13-24-11-8-16(9-12-24)22-15(3)26/h4-7,14,16H,8-13H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyKHGJIEFWRMMWSG-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide

N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide (PubChem CID 10499481) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
PubChem CID10499481
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide
SMILESCC(=O)NC1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1
InChIInChI=1S/C20H29N5O2/c1-14(2)25-18-7-5-4-6-17(18)19(23-25)20(27)21-10-13-24-11-8-16(9-12-24)22-15(3)26/h4-7,14,16H,8-13H2,1-3H3,(H,21,27)(H,22,26)
InChIKeyKHGJIEFWRMMWSG-UHFFFAOYSA-N
XLogP1.95
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide?
The IUPAC name of N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide (CID 10499481) is N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide?
The canonical SMILES for N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide is CC(=O)NC1CCN(CCNC(=O)c2nn(C(C)C)c3ccccc23)CC1.
What is the InChIKey of N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide?
The InChIKey is KHGJIEFWRMMWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14(2)25-18-7-5-4-6-17(18)19(23-25)20(27)21-10-13-24-11-8-16(9-12-24)22-15(3)26/h4-7,14,16H,8-13H2,1-3H3,(H,21,27)(H,22,26).
What are the key properties of N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide?
N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide has a molecular weight of 371.49 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetamidopiperidin-1-yl)ethyl]-1-propan-2-ylindazole-3-carboxamide is sourced from PubChem (CID 10499481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).