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

C23H30N4O2 — CID 55635619

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-26-21-9-5-8-20(19(21)16-24-26)25-23(29)18-12-14-27(15-13-18)22(28)11-10-17-6-3-2-4-7-17/h2-4,6-7,16,18,20H,5,8-15H2,1H3,(H,25,29)
InChIKeyXAYJFXAGUXGCPI-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.79
Rot. Bonds5

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

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 55635619) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID55635619
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H30N4O2/c1-26-21-9-5-8-20(19(21)16-24-26)25-23(29)18-12-14-27(15-13-18)22(28)11-10-17-6-3-2-4-7-17/h2-4,6-7,16,18,20H,5,8-15H2,1H3,(H,25,29)
InChIKeyXAYJFXAGUXGCPI-UHFFFAOYSA-N
XLogP2.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.79
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
(2R)-2-methyl-N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-5-phenylpentanamide
CID 97258746
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
1-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 110225755
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 98681861
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
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

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 55635619) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is Cn1ncc2c1CCCC2NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is XAYJFXAGUXGCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-26-21-9-5-8-20(19(21)16-24-26)25-23(29)18-12-14-27(15-13-18)22(28)11-10-17-6-3-2-4-7-17/h2-4,6-7,16,18,20H,5,8-15H2,1H3,(H,25,29).
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55635619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).