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

C23H30N4O3 — CID 55965923

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H30N4O3/c1-26-21-11-5-10-20(19(21)15-24-26)25-23(29)17-7-6-13-27(16-17)22(28)12-14-30-18-8-3-2-4-9-18/h2-4,8-9,15,17,20H,5-7,10-14,16H2,1H3,(H,25,29)
InChIKeyVUIXJLXUGLQURX-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.62
Rot. Bonds6

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

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 55965923) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID55965923
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C23H30N4O3/c1-26-21-11-5-10-20(19(21)15-24-26)25-23(29)17-7-6-13-27(16-17)22(28)12-14-30-18-8-3-2-4-9-18/h2-4,8-9,15,17,20H,5-7,10-14,16H2,1H3,(H,25,29)
InChIKeyVUIXJLXUGLQURX-UHFFFAOYSA-N
XLogP2.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-3-carboxamide
CID 47998684
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902
N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553205
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
(3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 52504687
1-(4-ethoxyphenyl)sulfonyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)piperidine-4-carboxamide
CID 55601923
N-[3-(4-methylpiperazin-1-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60554234
(3S)-3-ethoxy-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]piperidine-1-carboxamide
CID 95194911
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55968781

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 55965923) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is Cn1ncc2c1CCCC2NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is VUIXJLXUGLQURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-26-21-11-5-10-20(19(21)15-24-26)25-23(29)17-7-6-13-27(16-17)22(28)12-14-30-18-8-3-2-4-9-18/h2-4,8-9,15,17,20H,5-7,10-14,16H2,1H3,(H,25,29).
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55965923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).