N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide

C16H21ClN4O — CID 121326229

IUPACN-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1
InChIInChI=1S/C16H21ClN4O/c1-11(22)20(2)9-12-4-3-5-21(10-12)16-7-13(17)6-15-14(16)8-18-19-15/h6-8,12H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyNUHKGAJNKULOJA-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.91
Rot. Bonds3

About N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide

N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide (PubChem CID 121326229) has the molecular formula C16H21ClN4O and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
PubChem CID121326229
Molecular FormulaC16H21ClN4O
Molecular Weight320.82 g/mol
Exact Mass320.14
IUPAC NameN-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)CC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1
InChIInChI=1S/C16H21ClN4O/c1-11(22)20(2)9-12-4-3-5-21(10-12)16-7-13(17)6-15-14(16)8-18-19-15/h6-8,12H,3-5,9-10H2,1-2H3,(H,18,19)
InChIKeyNUHKGAJNKULOJA-UHFFFAOYSA-N
XLogP2.91
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide?
The IUPAC name of N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide (CID 121326229) is N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide is CC(=O)N(C)CC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.
What is the InChIKey of N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide?
The InChIKey is NUHKGAJNKULOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O/c1-11(22)20(2)9-12-4-3-5-21(10-12)16-7-13(17)6-15-14(16)8-18-19-15/h6-8,12H,3-5,9-10H2,1-2H3,(H,18,19).
What are the key properties of N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide?
N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide has a molecular weight of 320.82 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide is sourced from PubChem (CID 121326229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).