(3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide

C18H25N3O2 — CID 56858647

IUPAC(3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H25N3O2/c1-21(2)18(23)15-8-14(10-19-11-15)17(22)20-16-7-6-12-4-3-5-13(12)9-16/h6-7,9,14-15,19H,3-5,8,10-11H2,1-2H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyJHVRYKNKJQQNDF-CABCVRRESA-N
MW315.42 g/mol
LogP1.43
Rot. Bonds3

About (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide

(3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide (PubChem CID 56858647) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide
PubChem CID56858647
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C18H25N3O2/c1-21(2)18(23)15-8-14(10-19-11-15)17(22)20-16-7-6-12-4-3-5-13(12)9-16/h6-7,9,14-15,19H,3-5,8,10-11H2,1-2H3,(H,20,22)/t14-,15+/m1/s1
InChIKeyJHVRYKNKJQQNDF-CABCVRRESA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-3-N-cyclohexyl-5-N-(2,3-dihydro-1H-inden-5-yl)piperidine-3,5-dicarboxamide
CID 56859378
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[(4-methylphenyl)methyl]piperidine-3,5-dicarboxamide
CID 56852887
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350
3-amino-N-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclobutane-1-carboxamide
CID 115161265
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 66182176
(1S,5R)-N-(2,3-dihydro-1H-inden-5-yl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 8920716
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
(3R)-N-[4-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81123557
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)piperidine-3-carboxamide
CID 114263025
(3S,5R)-5-N-(2,3-dihydro-1H-inden-5-yl)-3-N-[3-(dimethylamino)propyl]-1-(2-methylpropyl)piperidine-3,5-dicarboxamide
CID 56857839
2-N-(2,3-dihydro-1H-inden-5-yl)cyclobutane-1,2-dicarboxamide
CID 122134376
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide?
The IUPAC name of (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide (CID 56858647) is (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide.
What is the SMILES notation for (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide?
The canonical SMILES for (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide is CN(C)C(=O)[C@@H]1CNC[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1.
What is the InChIKey of (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide?
The InChIKey is JHVRYKNKJQQNDF-CABCVRRESA-N. The full InChI is InChI=1S/C18H25N3O2/c1-21(2)18(23)15-8-14(10-19-11-15)17(22)20-16-7-6-12-4-3-5-13(12)9-16/h6-7,9,14-15,19H,3-5,8,10-11H2,1-2H3,(H,20,22)/t14-,15+/m1/s1.
What are the key properties of (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide?
(3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-3-N-(2,3-dihydro-1H-inden-5-yl)-5-N,5-N-dimethylpiperidine-3,5-dicarboxamide is sourced from PubChem (CID 56858647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).