1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C17H28N4O — CID 95197422

IUPAC1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN1CCC[C@@H](CCNC(=O)c2nn(C)c3c2CCCC3)C1
InChIInChI=1S/C17H28N4O/c1-20-11-5-6-13(12-20)9-10-18-17(22)16-14-7-3-4-8-15(14)21(2)19-16/h13H,3-12H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyLMQGMIQBJUXJEG-ZDUSSCGKSA-N
MW304.44 g/mol
LogP1.76
Rot. Bonds4

About 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 95197422) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID95197422
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN1CCC[C@@H](CCNC(=O)c2nn(C)c3c2CCCC3)C1
InChIInChI=1S/C17H28N4O/c1-20-11-5-6-13(12-20)9-10-18-17(22)16-14-7-3-4-8-15(14)21(2)19-16/h13H,3-12H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyLMQGMIQBJUXJEG-ZDUSSCGKSA-N
XLogP1.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 95197422) is 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CN1CCC[C@@H](CCNC(=O)c2nn(C)c3c2CCCC3)C1.
What is the InChIKey of 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is LMQGMIQBJUXJEG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20-11-5-6-13(12-20)9-10-18-17(22)16-14-7-3-4-8-15(14)21(2)19-16/h13H,3-12H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 95197422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).