(3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

C23H30N4O3 — CID 125432590

IUPAC(3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2
InChIInChI=1S/C23H30N4O3/c1-14-10-15(2)25-23(24-14)27-9-5-6-17(13-27)22(28)26-19-8-7-16-11-20(29-3)21(30-4)12-18(16)19/h10-12,17,19H,5-9,13H2,1-4H3,(H,26,28)/t17-,19+/m1/s1
InChIKeyNWEYKBDZPHWNDE-MJGOQNOKSA-N
MW410.52 g/mol
LogP3.13
Rot. Bonds5

About (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide

(3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (PubChem CID 125432590) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
PubChem CID125432590
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name(3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
SMILESCOc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2
InChIInChI=1S/C23H30N4O3/c1-14-10-15(2)25-23(24-14)27-9-5-6-17(13-27)22(28)26-19-8-7-16-11-20(29-3)21(30-4)12-18(16)19/h10-12,17,19H,5-9,13H2,1-4H3,(H,26,28)/t17-,19+/m1/s1
InChIKeyNWEYKBDZPHWNDE-MJGOQNOKSA-N
XLogP3.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(4-methylcyclohexyl)piperidine-3-carboxamide
CID 649779
N-(1-adamantyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 3224246
(3R)-1-(4,6-dimethylpyrimidin-2-yl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 6557857
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 166603024
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
(3R)-N-(4-acetamidophenyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436254
ethyl 2-[[1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carbonyl]amino]acetate
CID 6487050
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-(oxan-4-ylmethyl)piperidine-3-carboxamide
CID 96558783
(3R)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-(2-methylpropyl)piperidine-3-carboxamide
CID 7436064
(3R)-N-[(2S)-butan-2-yl]-1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7436060
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide (CID 125432590) is (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is COc1cc2c(cc1OC)[C@@H](NC(=O)[C@@H]1CCCN(c3nc(C)cc(C)n3)C1)CC2.
What is the InChIKey of (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
The InChIKey is NWEYKBDZPHWNDE-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-14-10-15(2)25-23(24-14)27-9-5-6-17(13-27)22(28)26-19-8-7-16-11-20(29-3)21(30-4)12-18(16)19/h10-12,17,19H,5-9,13H2,1-4H3,(H,26,28)/t17-,19+/m1/s1.
What are the key properties of (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide?
(3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 125432590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).