2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide

C29H38N8O2 — CID 158370369

IUPAC2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide
SMILESCN1CCC(n2nc(CC(N)=O)c3ccccc32)CC1.NC(=O)Cc1nn(C2CCNCC2)c2ccccc12
InChIInChI=1S/C15H20N4O.C14H18N4O/c1-18-8-6-11(7-9-18)19-14-5-3-2-4-12(14)13(17-19)10-15(16)20;15-14(19)9-12-11-3-1-2-4-13(11)18(17-12)10-5-7-16-8-6-10/h2-5,11H,6-10H2,1H3,(H2,16,20);1-4,10,16H,5-9H2,(H2,15,19)
InChIKeyGUNPGJUIKYPDIL-UHFFFAOYSA-N
MW530.68 g/mol
LogP2.32
Rot. Bonds6

About 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide

2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide (PubChem CID 158370369) has the molecular formula C29H38N8O2 and a molecular weight of 530.68 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide
PubChem CID158370369
Molecular FormulaC29H38N8O2
Molecular Weight530.68 g/mol
Exact Mass530.31
IUPAC Name2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide
SMILESCN1CCC(n2nc(CC(N)=O)c3ccccc32)CC1.NC(=O)Cc1nn(C2CCNCC2)c2ccccc12
InChIInChI=1S/C15H20N4O.C14H18N4O/c1-18-8-6-11(7-9-18)19-14-5-3-2-4-12(14)13(17-19)10-15(16)20;15-14(19)9-12-11-3-1-2-4-13(11)18(17-12)10-5-7-16-8-6-10/h2-5,11H,6-10H2,1H3,(H2,16,20);1-4,10,16H,5-9H2,(H2,15,19)
InChIKeyGUNPGJUIKYPDIL-UHFFFAOYSA-N
XLogP2.32
TPSA137.09 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.68
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide?
The IUPAC name of 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide (CID 158370369) is 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide is CN1CCC(n2nc(CC(N)=O)c3ccccc32)CC1.NC(=O)Cc1nn(C2CCNCC2)c2ccccc12.
What is the InChIKey of 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide?
The InChIKey is GUNPGJUIKYPDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.C14H18N4O/c1-18-8-6-11(7-9-18)19-14-5-3-2-4-12(14)13(17-19)10-15(16)20;15-14(19)9-12-11-3-1-2-4-13(11)18(17-12)10-5-7-16-8-6-10/h2-5,11H,6-10H2,1H3,(H2,16,20);1-4,10,16H,5-9H2,(H2,15,19).
What are the key properties of 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide?
2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide has a molecular weight of 530.68 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-4-yl)indazol-3-yl]acetamide;2-(1-piperidin-4-ylindazol-3-yl)acetamide is sourced from PubChem (CID 158370369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).