[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone

C20H30N2O3 — CID 97338435

IUPAC[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESCC[C@@H](C)Oc1cc(C(=O)N2CCC(C3CCOCC3)CC2)ccn1
InChIInChI=1S/C20H30N2O3/c1-3-15(2)25-19-14-18(4-9-21-19)20(23)22-10-5-16(6-11-22)17-7-12-24-13-8-17/h4,9,14-17H,3,5-8,10-13H2,1-2H3/t15-/m1/s1
InChIKeyNHBRMDMIJZDDCN-OAHLLOKOSA-N
MW346.47 g/mol
LogP3.54
Rot. Bonds5

About [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone

[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone (PubChem CID 97338435) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
PubChem CID97338435
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone
SMILESCC[C@@H](C)Oc1cc(C(=O)N2CCC(C3CCOCC3)CC2)ccn1
InChIInChI=1S/C20H30N2O3/c1-3-15(2)25-19-14-18(4-9-21-19)20(23)22-10-5-16(6-11-22)17-7-12-24-13-8-17/h4,9,14-17H,3,5-8,10-13H2,1-2H3/t15-/m1/s1
InChIKeyNHBRMDMIJZDDCN-OAHLLOKOSA-N
XLogP3.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(2-butan-2-yloxy-4-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 75483584
(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 84596637
[2-[(2S)-butan-2-yl]oxy-4-pyridinyl]-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]methanone
CID 99776885
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
(2R)-1-(2-butan-2-yloxypyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537390
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
1-[2-[(2-butan-2-yloxypyridine-4-carbonyl)-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525498
[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 121017408
(4-aminopiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200428
(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75446913
2-[4-(2-butan-2-yloxypyridine-4-carbonyl)thiomorpholin-3-yl]acetic acid
CID 120520600
1-(2-methoxypyridine-4-carbonyl)piperidine-4-carboxamide
CID 84580487

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone (CID 97338435) is [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone is CC[C@@H](C)Oc1cc(C(=O)N2CCC(C3CCOCC3)CC2)ccn1.
What is the InChIKey of [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone?
The InChIKey is NHBRMDMIJZDDCN-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-15(2)25-19-14-18(4-9-21-19)20(23)22-10-5-16(6-11-22)17-7-12-24-13-8-17/h4,9,14-17H,3,5-8,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone?
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-[4-(oxan-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97338435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).