2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone

C22H24N6O — CID 167985381

IUPAC2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
SMILESCc1ccc(-n2nnnc2N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H24N6O/c1-16-6-8-19(9-7-16)28-22(23-24-25-28)26-13-10-18(11-14-26)21(29)27-15-12-17-4-2-3-5-20(17)27/h2-9,18H,10-15H2,1H3
InChIKeyDHRUDDYAXGOISS-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.78
Rot. Bonds3

About 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone (PubChem CID 167985381) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
PubChem CID167985381
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
SMILESCc1ccc(-n2nnnc2N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H24N6O/c1-16-6-8-19(9-7-16)28-22(23-24-25-28)26-13-10-18(11-14-26)21(29)27-15-12-17-4-2-3-5-20(17)27/h2-9,18H,10-15H2,1H3
InChIKeyDHRUDDYAXGOISS-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
CID 52511709
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
CID 47292903
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-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 172902407
2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30363670
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 172901325
N-(2,4-dimethylphenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 43815678
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone (CID 167985381) is 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone is Cc1ccc(-n2nnnc2N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone?
The InChIKey is DHRUDDYAXGOISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-6-8-19(9-7-16)28-22(23-24-25-28)26-13-10-18(11-14-26)21(29)27-15-12-17-4-2-3-5-20(17)27/h2-9,18H,10-15H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone has a molecular weight of 388.48 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 167985381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).