[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

C22H23N3O2 — CID 11617471

IUPAC[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2c2nc3ccccc3o2)C1
InChIInChI=1S/C22H23N3O2/c1-15-7-6-12-24(14-15)21(26)19-13-16-8-2-4-10-18(16)25(19)22-23-17-9-3-5-11-20(17)27-22/h2-5,8-11,15,19H,6-7,12-14H2,1H3/t15-,19-/m0/s1
InChIKeyPBDWBCLRYQQYDS-KXBFYZLASA-N
MW361.44 g/mol
LogP4.15
Rot. Bonds2

About [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone

[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (PubChem CID 11617471) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
PubChem CID11617471
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
SMILESC[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2c2nc3ccccc3o2)C1
InChIInChI=1S/C22H23N3O2/c1-15-7-6-12-24(14-15)21(26)19-13-16-8-2-4-10-18(16)25(19)22-23-17-9-3-5-11-20(17)27-22/h2-5,8-11,15,19H,6-7,12-14H2,1H3/t15-,19-/m0/s1
InChIKeyPBDWBCLRYQQYDS-KXBFYZLASA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-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

(3-methylpiperidin-1-yl)-(1-pyridazin-3-yl-2,3-dihydroindol-2-yl)methanone
CID 69275502
3-[2-(3-methylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]-1H-pyridazin-6-one
CID 69273701
(2S)-2-[(3R)-3-methylpiperidine-1-carbonyl]-2,3-dihydroindole-1-carboxylic acid
CID 69275495
(3-methylpiperidin-1-yl)-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3-dihydroindol-2-yl]methanone
CID 69272501
[(3S)-3-methylpiperidin-1-yl]-[(2S)-1-(1-methyl-6-sulfanylidenepyridazin-3-yl)-2,3-dihydroindol-2-yl]methanone
CID 87761635
[(2S)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 95583386
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178729
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 46689019
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
(3S)-1-[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119173598
[(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 97427936
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 3415222

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The IUPAC name of [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone (CID 11617471) is [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The canonical SMILES for [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is C[C@H]1CCCN(C(=O)[C@@H]2Cc3ccccc3N2c2nc3ccccc3o2)C1.
What is the InChIKey of [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
The InChIKey is PBDWBCLRYQQYDS-KXBFYZLASA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-7-6-12-24(14-15)21(26)19-13-16-8-2-4-10-18(16)25(19)22-23-17-9-3-5-11-20(17)27-22/h2-5,8-11,15,19H,6-7,12-14H2,1H3/t15-,19-/m0/s1.
What are the key properties of [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone?
[(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone has a molecular weight of 361.44 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1,3-benzoxazol-2-yl)-2,3-dihydroindol-2-yl]-[(3S)-3-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 11617471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).