2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide

C18H27N3O2 — CID 118769079

IUPAC2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC[C@@H](NC2Cc3ccccc3C2)[C@H](O)C1
InChIInChI=1S/C18H27N3O2/c1-20(2)18(23)12-21-8-7-16(17(22)11-21)19-15-9-13-5-3-4-6-14(13)10-15/h3-6,15-17,19,22H,7-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyWATQNKJTNSNFLP-IAGOWNOFSA-N
MW317.43 g/mol
LogP0.27
Rot. Bonds4

About 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide

2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 118769079) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
PubChem CID118769079
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CC[C@@H](NC2Cc3ccccc3C2)[C@H](O)C1
InChIInChI=1S/C18H27N3O2/c1-20(2)18(23)12-21-8-7-16(17(22)11-21)19-15-9-13-5-3-4-6-14(13)10-15/h3-6,15-17,19,22H,7-12H2,1-2H3/t16-,17-/m1/s1
InChIKeyWATQNKJTNSNFLP-IAGOWNOFSA-N
XLogP0.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 121499951
2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118784312
2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 118779443
2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 121495640
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 118764876
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 118764058
3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118787893
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 118794013
2-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43763480
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
4-(2,3-dihydro-1H-inden-2-ylamino)-2-[(4-methylpiperidin-1-yl)methyl]oxolan-3-ol
CID 162799447

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide (CID 118769079) is 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CC[C@@H](NC2Cc3ccccc3C2)[C@H](O)C1.
What is the InChIKey of 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is WATQNKJTNSNFLP-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-20(2)18(23)12-21-8-7-16(17(22)11-21)19-15-9-13-5-3-4-6-14(13)10-15/h3-6,15-17,19,22H,7-12H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide?
2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 317.43 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118769079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).