2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

C18H25ClN4O — CID 6625724

IUPAC2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)Cn1ncc2ccc(Cl)cc21
InChIInChI=1S/C18H25ClN4O/c1-14-5-2-3-9-22(14)10-4-8-20-18(24)13-23-17-11-16(19)7-6-15(17)12-21-23/h6-7,11-12,14H,2-5,8-10,13H2,1H3,(H,20,24)
InChIKeyBYTCRQFKKYIKCB-UHFFFAOYSA-N
MW348.88 g/mol
LogP3.07
Rot. Bonds6

About 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide

2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 6625724) has the molecular formula C18H25ClN4O and a molecular weight of 348.88 g/mol. Its IUPAC name is 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
PubChem CID6625724
Molecular FormulaC18H25ClN4O
Molecular Weight348.88 g/mol
Exact Mass348.17
IUPAC Name2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCCCN1CCCNC(=O)Cn1ncc2ccc(Cl)cc21
InChIInChI=1S/C18H25ClN4O/c1-14-5-2-3-9-22(14)10-4-8-20-18(24)13-23-17-11-16(19)7-6-15(17)12-21-23/h6-7,11-12,14H,2-5,8-10,13H2,1H3,(H,20,24)
InChIKeyBYTCRQFKKYIKCB-UHFFFAOYSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide (CID 6625724) is 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is CC1CCCCN1CCCNC(=O)Cn1ncc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is BYTCRQFKKYIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O/c1-14-5-2-3-9-22(14)10-4-8-20-18(24)13-23-17-11-16(19)7-6-15(17)12-21-23/h6-7,11-12,14H,2-5,8-10,13H2,1H3,(H,20,24).
What are the key properties of 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide?
2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 348.88 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloroindazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 6625724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).