[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C22H23N3O2 — CID 46689019

IUPAC[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H23N3O2/c1-15-14-17-6-2-4-8-19(17)25(15)21(26)16-10-12-24(13-11-16)22-23-18-7-3-5-9-20(18)27-22/h2-9,15-16H,10-14H2,1H3
InChIKeyKDSGLEYIOZCXNP-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.02
Rot. Bonds2

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

[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 46689019) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID46689019
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCN(c2nc3ccccc3o2)CC1
InChIInChI=1S/C22H23N3O2/c1-15-14-17-6-2-4-8-19(17)25(15)21(26)16-10-12-24(13-11-16)22-23-18-7-3-5-9-20(18)27-22/h2-9,15-16H,10-14H2,1H3
InChIKeyKDSGLEYIOZCXNP-UHFFFAOYSA-N
XLogP4.02
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 16590198
[4-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclohexyl]-(4-methylpiperidin-1-yl)methanone
CID 109146334
(2S)-4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 33400124
(1-benzoylpiperidin-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 41025049
4-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 17491566
(2-methyl-2,3-dihydroindol-1-yl)-[1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanone
CID 43926951
(1,1-dioxothian-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 110863894
[4-(aminomethyl)piperidin-1-yl]-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 119423816
[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133189718
(4-methoxycyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 112532262

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 46689019) is [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C1CCN(c2nc3ccccc3o2)CC1.
What is the InChIKey of [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is KDSGLEYIOZCXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-14-17-6-2-4-8-19(17)25(15)21(26)16-10-12-24(13-11-16)22-23-18-7-3-5-9-20(18)27-22/h2-9,15-16H,10-14H2,1H3.
What are the key properties of [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 361.44 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 46689019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).