(6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone

C17H21N5O — CID 129488937

IUPAC(6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone
SMILESCc1ccc2c(c1)N(C(=O)c1ncn([C@H]3CCCNC3)n1)CC2
InChIInChI=1S/C17H21N5O/c1-12-4-5-13-6-8-21(15(13)9-12)17(23)16-19-11-22(20-16)14-3-2-7-18-10-14/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3/t14-/m0/s1
InChIKeyYYTATGOPLXNWTF-AWEZNQCLSA-N
MW311.39 g/mol
LogP1.71
Rot. Bonds2

About (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone

(6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone (PubChem CID 129488937) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone.

Molecular Properties

Compound Name(6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone
PubChem CID129488937
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone
SMILESCc1ccc2c(c1)N(C(=O)c1ncn([C@H]3CCCNC3)n1)CC2
InChIInChI=1S/C17H21N5O/c1-12-4-5-13-6-8-21(15(13)9-12)17(23)16-19-11-22(20-16)14-3-2-7-18-10-14/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3/t14-/m0/s1
InChIKeyYYTATGOPLXNWTF-AWEZNQCLSA-N
XLogP1.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone with MolForge

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Related Compounds

methyl 1-piperidin-3-yl-1,2,4-triazole-3-carboxylate
CID 163353124
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119783381
N-(1-acetyl-3,4-dihydro-2H-quinolin-4-yl)-1-piperidin-3-yl-1,2,4-triazole-3-carboxamide
CID 167826934
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
3-methyl-1-[(3S)-piperidin-3-yl]pyrazole-4-carboxylic acid
CID 124510052
6-methyl-3-(6-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 86873019
1-(2-bromo-4-methylphenyl)-4-piperidin-3-ylpiperazine
CID 117026189
N-[(1R,2S)-2-phenylcyclopropyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488916
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
3-(4-methylphenyl)-5-(1-piperidin-3-yl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120833760
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-[(3S)-piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129489919
(2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl)-(1-piperidin-3-ylpyrazol-4-yl)methanone
CID 167927902

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone?
The IUPAC name of (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone (CID 129488937) is (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone.
What is the SMILES notation for (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone?
The canonical SMILES for (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone is Cc1ccc2c(c1)N(C(=O)c1ncn([C@H]3CCCNC3)n1)CC2.
What is the InChIKey of (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone?
The InChIKey is YYTATGOPLXNWTF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O/c1-12-4-5-13-6-8-21(15(13)9-12)17(23)16-19-11-22(20-16)14-3-2-7-18-10-14/h4-5,9,11,14,18H,2-3,6-8,10H2,1H3/t14-/m0/s1.
What are the key properties of (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone?
(6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,3-dihydroindol-1-yl)-[1-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-yl]methanone is sourced from PubChem (CID 129488937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).