N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C16H26N4O — CID 45164639

IUPACN,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CC(N1CCC(C)CC1)CC2
InChIInChI=1S/C16H26N4O/c1-11-6-8-20(9-7-11)12-4-5-14-13(10-12)15(16(21)17-2)18-19(14)3/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyZNAYTMJHDWUHMJ-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.37
Rot. Bonds2

About N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45164639) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45164639
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCNC(=O)c1nn(C)c2c1CC(N1CCC(C)CC1)CC2
InChIInChI=1S/C16H26N4O/c1-11-6-8-20(9-7-11)12-4-5-14-13(10-12)15(16(21)17-2)18-19(14)3/h11-12H,4-10H2,1-3H3,(H,17,21)
InChIKeyZNAYTMJHDWUHMJ-UHFFFAOYSA-N
XLogP1.37
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azocan-1-yl)-1-ethyl-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45163019
azepan-1-yl-(1-methyl-5-pyrrolidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl)methanone
CID 45164485
[(5S)-1-methyl-5-piperidin-1-yl-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 26220935
(5R)-5-(4-hydroxypiperidin-1-yl)-N-methyl-1-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26144826
N-methyl-1-(2-phenylethyl)-5-(4-piperidin-1-ylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165470
N-[(2-fluorophenyl)methyl]-5-[4-(hydroxymethyl)piperidin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165304
(5S)-5-(azepan-1-yl)-1-methyl-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26223599
[1-methyl-5-(4-phenylpiperidin-1-yl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45163549
(5R)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(4-propan-2-ylpiperazin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 31018364
[5-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45161837
[5-(4-methylpiperidin-1-yl)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45164677
N,1-dimethyl-5-[2-(4-phenylpiperidin-1-yl)ethylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162379

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45164639) is N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CNC(=O)c1nn(C)c2c1CC(N1CCC(C)CC1)CC2.
What is the InChIKey of N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is ZNAYTMJHDWUHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-6-8-20(9-7-11)12-4-5-14-13(10-12)15(16(21)17-2)18-19(14)3/h11-12H,4-10H2,1-3H3,(H,17,21).
What are the key properties of N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-(4-methylpiperidin-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45164639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).