4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one

C22H29NO4 — CID 90628983

IUPAC4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc(=O)o1
InChIInChI=1S/C22H29NO4/c1-14-6-19(10-20(24)26-14)27-18-2-4-23(5-3-18)21(25)22-11-15-7-16(12-22)9-17(8-15)13-22/h6,10,15-18H,2-5,7-9,11-13H2,1H3
InChIKeyOWBNIWRCWFAPAH-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.53
Rot. Bonds3

About 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one

4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one (PubChem CID 90628983) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
PubChem CID90628983
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
SMILESCc1cc(OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc(=O)o1
InChIInChI=1S/C22H29NO4/c1-14-6-19(10-20(24)26-14)27-18-2-4-23(5-3-18)21(25)22-11-15-7-16(12-22)9-17(8-15)13-22/h6,10,15-18H,2-5,7-9,11-13H2,1H3
InChIKeyOWBNIWRCWFAPAH-UHFFFAOYSA-N
XLogP3.53
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984
methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate
CID 10905377
4-[1-(2-cyclohexylacetyl)pyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628717
4-[1-(2,5-dimethylpyrazole-3-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629179
6-methyl-4-[1-(2-pyrrol-1-ylacetyl)piperidin-4-yl]oxypyran-2-one
CID 90629092
6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877879
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
6-methyl-4-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]oxypyran-2-one
CID 90628971
N-cyclohexyl-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 90628813
4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
4-[1-[4-(3,4-dichlorophenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 121155785

Frequently Asked Questions

What is the IUPAC name of 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one (CID 90628983) is 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one is Cc1cc(OC2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc(=O)o1.
What is the InChIKey of 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
The InChIKey is OWBNIWRCWFAPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-14-6-19(10-20(24)26-14)27-18-2-4-23(5-3-18)21(25)22-11-15-7-16(12-22)9-17(8-15)13-22/h6,10,15-18H,2-5,7-9,11-13H2,1H3.
What are the key properties of 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one?
4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one has a molecular weight of 371.48 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90628983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).