(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

C18H26N2O3 — CID 25381737

IUPAC(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCC[C@@](O)(CNC2Cc3ccccc3C2)C1=O
InChIInChI=1S/C18H26N2O3/c1-23-10-9-20-8-4-7-18(22,17(20)21)13-19-16-11-14-5-2-3-6-15(14)12-16/h2-3,5-6,16,19,22H,4,7-13H2,1H3/t18-/m1/s1
InChIKeyDTLUIMSLQNCGAT-GOSISDBHSA-N
MW318.42 g/mol
LogP0.74
Rot. Bonds6

About (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 25381737) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
PubChem CID25381737
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCC[C@@](O)(CNC2Cc3ccccc3C2)C1=O
InChIInChI=1S/C18H26N2O3/c1-23-10-9-20-8-4-7-18(22,17(20)21)13-19-16-11-14-5-2-3-6-15(14)12-16/h2-3,5-6,16,19,22H,4,7-13H2,1H3/t18-/m1/s1
InChIKeyDTLUIMSLQNCGAT-GOSISDBHSA-N
XLogP0.74
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one with MolForge

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Related Compounds

(3R)-3-[(cyclooctylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 26391310
3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 45227459
3-hydroxy-1-(2-methoxyethyl)-3-[(propan-2-ylamino)methyl]piperidin-2-one
CID 45190640
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[[2-(trifluoromethyl)phenyl]methylamino]methyl]piperidin-2-one
CID 95210577
3-[(cyclopentylamino)methyl]-3-hydroxy-1-(2-phenylethyl)piperidin-2-one
CID 45220478
(3R)-3-hydroxy-1-(2-methoxyethyl)-3-[(thiophen-3-ylmethylamino)methyl]piperidin-2-one
CID 95202671
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56755449
4-[[(3R)-3-hydroxy-1-(2-methoxyethyl)-2-oxopiperidin-3-yl]methyl]-1-phenylpiperazin-2-one
CID 95204131
(3S)-3-[(cyclopropylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95388497
(3S)-3-[(cycloheptylamino)methyl]-1-[(2,3-dimethoxyphenyl)methyl]-3-hydroxypiperidin-2-one
CID 95205724
3-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56717915
(3S)-3-hydroxy-1-(2-methoxyethyl)-3-[[methyl(quinolin-3-ylmethyl)amino]methyl]piperidin-2-one
CID 95228250

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (CID 25381737) is (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is COCCN1CCC[C@@](O)(CNC2Cc3ccccc3C2)C1=O.
What is the InChIKey of (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is DTLUIMSLQNCGAT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-23-10-9-20-8-4-7-18(22,17(20)21)13-19-16-11-14-5-2-3-6-15(14)12-16/h2-3,5-6,16,19,22H,4,7-13H2,1H3/t18-/m1/s1.
What are the key properties of (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
(3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 25381737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).