[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone

C20H29N3O2 — CID 56905390

IUPAC[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
SMILESC[C@@H]1CN(C2(C(=O)N3CCNCC3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H29N3O2/c1-15-13-23(14-16(2)25-15)20(19(24)22-9-7-21-8-10-22)11-17-5-3-4-6-18(17)12-20/h3-6,15-16,21H,7-14H2,1-2H3/t15-,16+
InChIKeyXVIAFLUXNKXTLN-IYBDPMFKSA-N
MW343.47 g/mol
LogP1.07
Rot. Bonds2

About [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone

[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone (PubChem CID 56905390) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
PubChem CID56905390
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
SMILESC[C@@H]1CN(C2(C(=O)N3CCNCC3)Cc3ccccc3C2)C[C@H](C)O1
InChIInChI=1S/C20H29N3O2/c1-15-13-23(14-16(2)25-15)20(19(24)22-9-7-21-8-10-22)11-17-5-3-4-6-18(17)12-20/h3-6,15-16,21H,7-14H2,1-2H3/t15-,16+
InChIKeyXVIAFLUXNKXTLN-IYBDPMFKSA-N
XLogP1.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

indan-2-yl-Gly-D-Phe-D-Leu-D-Lys-morpholide
CID 132225750
(3R,6R)-1-[(1R)-1-(2,4-difluorophenyl)-2-morpholin-4-yl-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11685100
2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpentan-2-yl]propanamide
CID 44293557
2-amino-2-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]propanamide
CID 44293091
2-amino-2-methyl-N-[(2R)-1-oxo-3-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropan-2-yl]propanamide
CID 22867360
N-(2-methyl-2-morpholin-4-ylpropyl)-9H-fluorene-9-carboxamide
CID 2459059
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CID 5459737
3-[[(2R)-2-hydroxypropyl]amino]-3-methyl-N-[(2R)-1-oxo-4-phenyl-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylbutan-2-yl]butanamide
CID 44293196
(3S)-1-({2-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-2,3-dihydro-1H-inden-2-yl}carbonyl)-3-pyrrolidinol
CID 25279092
N-(3-amino-3-oxopropyl)-2-(1-piperidinyl)-2-indanecarboxamide
CID 25365099
N-[(3S)-2-oxo-3-azepanyl]-2-(1-piperidinyl)-2-indanecarboxamide
CID 26314875
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CID 26327603

Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone (CID 56905390) is [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone is C[C@@H]1CN(C2(C(=O)N3CCNCC3)Cc3ccccc3C2)C[C@H](C)O1.
What is the InChIKey of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone?
The InChIKey is XVIAFLUXNKXTLN-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-15-13-23(14-16(2)25-15)20(19(24)22-9-7-21-8-10-22)11-17-5-3-4-6-18(17)12-20/h3-6,15-16,21H,7-14H2,1-2H3/t15-,16+.
What are the key properties of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone?
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone has a molecular weight of 343.47 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56905390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).