2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

C23H27N5O — CID 7436500

IUPAC2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1
InChIInChI=1S/C23H27N5O/c1-16-7-8-22-20(13-16)24-25-28(22)19-9-11-26(12-10-19)15-23(29)27-17(2)14-18-5-3-4-6-21(18)27/h3-8,13,17,19H,9-12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyWTHIMPRNVATMHO-KRWDZBQOSA-N
MW389.50 g/mol
LogP3.35
Rot. Bonds3

About 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 7436500) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID7436500
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
SMILESCc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1
InChIInChI=1S/C23H27N5O/c1-16-7-8-22-20(13-16)24-25-28(22)19-9-11-26(12-10-19)15-23(29)27-17(2)14-18-5-3-4-6-21(18)27/h3-8,13,17,19H,9-12,14-15H2,1-2H3/t17-/m0/s1
InChIKeyWTHIMPRNVATMHO-KRWDZBQOSA-N
XLogP3.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
2-(benzotriazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 51188925
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-N-(2-phenylethyl)acetamide
CID 645287
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
N-(3-fluorophenyl)-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 1469774
4-(5-methylbenzotriazol-1-yl)-N,N-diphenylpiperidine-1-carboxamide
CID 1469699
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(5-methyltetrazol-1-yl)ethanone
CID 146126993
2-[4-(benzotriazol-1-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1469612
6-methyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51951439
2-[4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 101346834
2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide
CID 136522965

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone (CID 7436500) is 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1.
What is the InChIKey of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WTHIMPRNVATMHO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-7-8-22-20(13-16)24-25-28(22)19-9-11-26(12-10-19)15-23(29)27-17(2)14-18-5-3-4-6-21(18)27/h3-8,13,17,19H,9-12,14-15H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone?
2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 389.50 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 7436500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).