(3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide

C19H27N3O2 — CID 97244690

IUPAC(3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)NCCC2Cc3ccccc3C2)C1
InChIInChI=1S/C19H27N3O2/c1-20-18(23)17-7-4-10-22(13-17)19(24)21-9-8-14-11-15-5-2-3-6-16(15)12-14/h2-3,5-6,14,17H,4,7-13H2,1H3,(H,20,23)(H,21,24)/t17-/m1/s1
InChIKeyVUVZAMKBYNYRCY-QGZVFWFLSA-N
MW329.44 g/mol
LogP1.96
Rot. Bonds4

About (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide

(3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide (PubChem CID 97244690) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
PubChem CID97244690
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide
SMILESCNC(=O)[C@@H]1CCCN(C(=O)NCCC2Cc3ccccc3C2)C1
InChIInChI=1S/C19H27N3O2/c1-20-18(23)17-7-4-10-22(13-17)19(24)21-9-8-14-11-15-5-2-3-6-16(15)12-14/h2-3,5-6,14,17H,4,7-13H2,1H3,(H,20,23)(H,21,24)/t17-/m1/s1
InChIKeyVUVZAMKBYNYRCY-QGZVFWFLSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide with MolForge

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Related Compounds

2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
3-N-methyl-1-N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)piperidine-1,3-dicarboxamide
CID 71855559
(3R)-1-N-[3-(1H-benzimidazol-2-yl)propyl]-3-N-methylpiperidine-1,3-dicarboxamide
CID 99584356
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798
(3S)-N-methyl-1-(3-phenylpropanoyl)piperidine-3-carboxamide
CID 154967020
3-N-methyl-1-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperidine-1,3-dicarboxamide
CID 136525975
N-(2-cyclohexylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108888580
1-N-cyclobutyl-3-N-methylpiperidine-1,3-dicarboxamide
CID 113239797
N-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 154780462
N-(2-cyclopropylethyl)pyrrolidine-1-carboxamide
CID 54293585
4-[(3S)-3-(methylcarbamoyl)piperidine-1-carbonyl]benzoic acid
CID 124674802
3-N-[2-(2-methyl-2,3-dihydroindol-1-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60599643

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide (CID 97244690) is (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide is CNC(=O)[C@@H]1CCCN(C(=O)NCCC2Cc3ccccc3C2)C1.
What is the InChIKey of (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
The InChIKey is VUVZAMKBYNYRCY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-20-18(23)17-7-4-10-22(13-17)19(24)21-9-8-14-11-15-5-2-3-6-16(15)12-14/h2-3,5-6,14,17H,4,7-13H2,1H3,(H,20,23)(H,21,24)/t17-/m1/s1.
What are the key properties of (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide?
(3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]-3-N-methylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 97244690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).