(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

C21H24N4O3 — CID 99873086

IUPAC(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C21H24N4O3/c26-21(24-16-5-6-18-19(10-16)28-9-8-27-18)15-2-1-7-25(12-15)20-11-17(14-3-4-14)22-13-23-20/h5-6,10-11,13-15H,1-4,7-9,12H2,(H,24,26)/t15-/m1/s1
InChIKeyKKBZRDREUPCSBU-OAHLLOKOSA-N
MW380.45 g/mol
LogP2.98
Rot. Bonds4

About (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide (PubChem CID 99873086) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
PubChem CID99873086
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1
InChIInChI=1S/C21H24N4O3/c26-21(24-16-5-6-18-19(10-16)28-9-8-27-18)15-2-1-7-25(12-15)20-11-17(14-3-4-14)22-13-23-20/h5-6,10-11,13-15H,1-4,7-9,12H2,(H,24,26)/t15-/m1/s1
InChIKeyKKBZRDREUPCSBU-OAHLLOKOSA-N
XLogP2.98
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170453
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085575
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085574
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921246
N-tert-butyl-1-(6-cyclopropylpyrimidin-4-yl)piperidine-3-carboxamide
CID 165434399
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3-dimethylpyrido[2,3-b]pyrazin-7-yl)piperidine-3-carboxamide
CID 53165981
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055762
1-(6-cyclopropylpyridazin-3-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-4-carboxamide
CID 126853993
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 95069932
(3S)-N-(1,3-benzodioxol-5-yl)-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866144
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 7407406
(3R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 93068908

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide (CID 99873086) is (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1.
What is the InChIKey of (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide?
The InChIKey is KKBZRDREUPCSBU-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O3/c26-21(24-16-5-6-18-19(10-16)28-9-8-27-18)15-2-1-7-25(12-15)20-11-17(14-3-4-14)22-13-23-20/h5-6,10-11,13-15H,1-4,7-9,12H2,(H,24,26)/t15-/m1/s1.
What are the key properties of (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide?
(3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-cyclopropylpyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide is sourced from PubChem (CID 99873086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).