N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide

C18H27N5O — CID 118763646

IUPACN-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCCn1nc(CNC(=O)CN(C)C2CCNCC2)c2ccccc21
InChIInChI=1S/C18H27N5O/c1-3-23-17-7-5-4-6-15(17)16(21-23)12-20-18(24)13-22(2)14-8-10-19-11-9-14/h4-7,14,19H,3,8-13H2,1-2H3,(H,20,24)
InChIKeyQJTFWPPODVHKNS-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.36
Rot. Bonds6

About N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide

N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 118763646) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID118763646
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCCn1nc(CNC(=O)CN(C)C2CCNCC2)c2ccccc21
InChIInChI=1S/C18H27N5O/c1-3-23-17-7-5-4-6-15(17)16(21-23)12-20-18(24)13-22(2)14-8-10-19-11-9-14/h4-7,14,19H,3,8-13H2,1-2H3,(H,20,24)
InChIKeyQJTFWPPODVHKNS-UHFFFAOYSA-N
XLogP1.36
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide (CID 118763646) is N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide is CCn1nc(CNC(=O)CN(C)C2CCNCC2)c2ccccc21.
What is the InChIKey of N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is QJTFWPPODVHKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-3-23-17-7-5-4-6-15(17)16(21-23)12-20-18(24)13-22(2)14-8-10-19-11-9-14/h4-7,14,19H,3,8-13H2,1-2H3,(H,20,24).
What are the key properties of N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 329.45 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindazol-3-yl)methyl]-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 118763646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).