N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide

C22H28N4O2 — CID 167746657

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
SMILESO=C1CCCC(CCC(=O)NC2CCCc3c2cnn3Cc2ccccc2)N1
InChIInChI=1S/C22H28N4O2/c27-21-11-4-8-17(24-21)12-13-22(28)25-19-9-5-10-20-18(19)14-23-26(20)15-16-6-2-1-3-7-16/h1-3,6-7,14,17,19H,4-5,8-13,15H2,(H,24,27)(H,25,28)
InChIKeyUJHAECKREQEKPA-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.87
Rot. Bonds6

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide (PubChem CID 167746657) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
PubChem CID167746657
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide
SMILESO=C1CCCC(CCC(=O)NC2CCCc3c2cnn3Cc2ccccc2)N1
InChIInChI=1S/C22H28N4O2/c27-21-11-4-8-17(24-21)12-13-22(28)25-19-9-5-10-20-18(19)14-23-26(20)15-16-6-2-1-3-7-16/h1-3,6-7,14,17,19H,4-5,8-13,15H2,(H,24,27)(H,25,28)
InChIKeyUJHAECKREQEKPA-UHFFFAOYSA-N
XLogP2.87
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 86989860
3-(benzotriazol-1-yl)-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 110236779
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 110236789
N-[4-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-4-oxobutan-2-yl]benzamide
CID 55622490
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110236796
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55637955
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944281
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(3,4-dimethylphenoxy)propanamide
CID 31901256

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide (CID 167746657) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide is O=C1CCCC(CCC(=O)NC2CCCc3c2cnn3Cc2ccccc2)N1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide?
The InChIKey is UJHAECKREQEKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-21-11-4-8-17(24-21)12-13-22(28)25-19-9-5-10-20-18(19)14-23-26(20)15-16-6-2-1-3-7-16/h1-3,6-7,14,17,19H,4-5,8-13,15H2,(H,24,27)(H,25,28).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(6-oxopiperidin-2-yl)propanamide is sourced from PubChem (CID 167746657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).