1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide

C19H30N4O2 — CID 47998684

IUPAC1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)18(25)23-10-6-7-13(12-23)17(24)21-15-8-5-9-16-14(15)11-20-22(16)4/h11,13,15H,5-10,12H2,1-4H3,(H,21,24)
InChIKeyJKBIDADYDPDGAF-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.20
Rot. Bonds2

About 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide

1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide (PubChem CID 47998684) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
PubChem CID47998684
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCCN(C(=O)C(C)(C)C)C1
InChIInChI=1S/C19H30N4O2/c1-19(2,3)18(25)23-10-6-7-13(12-23)17(24)21-15-8-5-9-16-14(15)11-20-22(16)4/h11,13,15H,5-10,12H2,1-4H3,(H,21,24)
InChIKeyJKBIDADYDPDGAF-UHFFFAOYSA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55965923
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
CID 96517030
(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
CID 95194911
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 78983146
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-2-carboxamide
CID 110471734
2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975163
2-methoxy-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 113233382
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
(3R)-1-(2,2-dimethylpropanoyl)-N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide
CID 94818124
2-(2,2-dimethylpropyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyrrolidine-1-carboxamide
CID 49124992

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide (CID 47998684) is 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide is Cn1ncc2c1CCCC2NC(=O)C1CCCN(C(=O)C(C)(C)C)C1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide?
The InChIKey is JKBIDADYDPDGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(2,3)18(25)23-10-6-7-13(12-23)17(24)21-15-8-5-9-16-14(15)11-20-22(16)4/h11,13,15H,5-10,12H2,1-4H3,(H,21,24).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide?
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 47998684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).