2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone

C20H26N4O — CID 172891765

IUPAC2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
SMILESCc1cnn(CCN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C20H26N4O/c1-16-14-21-23(15-16)13-12-22-9-6-18(7-10-22)20(25)24-11-8-17-4-2-3-5-19(17)24/h2-5,14-15,18H,6-13H2,1H3
InChIKeyASJPRTURYWVFRR-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.49
Rot. Bonds4

About 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone (PubChem CID 172891765) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
PubChem CID172891765
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone
SMILESCc1cnn(CCN2CCC(C(=O)N3CCc4ccccc43)CC2)c1
InChIInChI=1S/C20H26N4O/c1-16-14-21-23(15-16)13-12-22-9-6-18(7-10-22)20(25)24-11-8-17-4-2-3-5-19(17)24/h2-5,14-15,18H,6-13H2,1H3
InChIKeyASJPRTURYWVFRR-UHFFFAOYSA-N
XLogP2.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(4-methylpyrazol-1-yl)ethylamino]propan-1-one
CID 95346896
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
4-[[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 172891645
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2,3-dihydroindol-1-yl-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]methanone
CID 172901645
2,3-dihydroindol-1-yl-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 38106377
N-ethyl-N'-[3-(4-methylpyrazol-1-yl)propyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984117
2,3-dihydroindol-1-yl-[1-[(3-methylphenyl)methylsulfonyl]piperidin-4-yl]methanone
CID 38006990
2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
CID 172891774
2,3-dihydroindol-1-yl-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]methanone
CID 120899277
2,3-dihydroindol-1-yl-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904110
2,3-dihydroindol-1-yl-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]methanone
CID 172904104

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone (CID 172891765) is 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone is Cc1cnn(CCN2CCC(C(=O)N3CCc4ccccc43)CC2)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone?
The InChIKey is ASJPRTURYWVFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-16-14-21-23(15-16)13-12-22-9-6-18(7-10-22)20(25)24-11-8-17-4-2-3-5-19(17)24/h2-5,14-15,18H,6-13H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone has a molecular weight of 338.45 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanone is sourced from PubChem (CID 172891765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).