N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide

C19H32N4O — CID 124742117

IUPACN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C19H32N4O/c1-14-8-5-6-11-22(14)13-18(24)21-16-9-7-10-17-15(16)12-20-23(17)19(2,3)4/h12,14,16H,5-11,13H2,1-4H3,(H,21,24)/t14-,16+/m1/s1
InChIKeyXESMYVDWQSAOQO-ZBFHGGJFSA-N
MW332.49 g/mol
LogP3.01
Rot. Bonds3

About N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide

N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide (PubChem CID 124742117) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
PubChem CID124742117
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC NameN-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCCCN1CC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C
InChIInChI=1S/C19H32N4O/c1-14-8-5-6-11-22(14)13-18(24)21-16-9-7-10-17-15(16)12-20-23(17)19(2,3)4/h12,14,16H,5-11,13H2,1-4H3,(H,21,24)/t14-,16+/m1/s1
InChIKeyXESMYVDWQSAOQO-ZBFHGGJFSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide with MolForge

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Related Compounds

N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[cyclohexyl(methyl)amino]acetamide
CID 94380801
N-(1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 56731356
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-methylpyrazol-1-yl)acetamide
CID 95384960
N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 94379747
2-[acetyl(methyl)amino]-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669068
2-[acetyl(methyl)amino]-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94669069
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
(2S)-N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 94663931
1-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 52531470
(2S,3R)-N-[(4R)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94137013
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 52514919
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide (CID 124742117) is N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide is C[C@@H]1CCCCN1CC(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C.
What is the InChIKey of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is XESMYVDWQSAOQO-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H32N4O/c1-14-8-5-6-11-22(14)13-18(24)21-16-9-7-10-17-15(16)12-20-23(17)19(2,3)4/h12,14,16H,5-11,13H2,1-4H3,(H,21,24)/t14-,16+/m1/s1.
What are the key properties of N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide?
N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 332.49 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-tert-butyl-4,5,6,7-tetrahydroindazol-4-yl]-2-[(2R)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 124742117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).