(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one

C22H25N3O4 — CID 91911520

IUPAC(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)[C@H](OC)[C@@H]3c3ccncc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-28-18-5-3-16(4-6-18)21(26)24-13-9-17(10-14-24)25-19(20(29-2)22(25)27)15-7-11-23-12-8-15/h3-8,11-12,17,19-20H,9-10,13-14H2,1-2H3/t19-,20+/m0/s1
InChIKeyGMASFTUGXCUXAL-VQTJNVASSA-N
MW395.46 g/mol
LogP2.29
Rot. Bonds5

About (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one

(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one (PubChem CID 91911520) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
PubChem CID91911520
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
SMILESCOc1ccc(C(=O)N2CCC(N3C(=O)[C@H](OC)[C@@H]3c3ccncc3)CC2)cc1
InChIInChI=1S/C22H25N3O4/c1-28-18-5-3-16(4-6-18)21(26)24-13-9-17(10-14-24)25-19(20(29-2)22(25)27)15-7-11-23-12-8-15/h3-8,11-12,17,19-20H,9-10,13-14H2,1-2H3/t19-,20+/m0/s1
InChIKeyGMASFTUGXCUXAL-VQTJNVASSA-N
XLogP2.29
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-methoxy-1-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one
CID 91911528
1-[1-(4-methoxybenzoyl)piperidin-4-yl]imidazolidin-2-one
CID 134790027
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092
(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171142298
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
(3R,4S)-3,4-bis(4-methoxyphenyl)-1-[1-(1,2,4-triazole-1-carbonyl)piperidin-4-yl]azetidin-2-one
CID 127034179
3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one
CID 171142299
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
3-[1-(4-methoxybenzoyl)piperidin-4-yl]-5,7-dimethyl-1,3-benzoxazol-2-one
CID 46081475
(4-methoxyphenyl)-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558989
2-[1-(4-methoxybenzoyl)piperidin-4-yl]-3H-isoindol-1-one
CID 134790875
2-amino-3-(1-benzoylpiperidin-4-yl)-5,5-bis(4-methoxyphenyl)imidazol-4-one
CID 86273116

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one?
The IUPAC name of (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one (CID 91911520) is (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one.
What is the SMILES notation for (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one?
The canonical SMILES for (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one is COc1ccc(C(=O)N2CCC(N3C(=O)[C@H](OC)[C@@H]3c3ccncc3)CC2)cc1.
What is the InChIKey of (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one?
The InChIKey is GMASFTUGXCUXAL-VQTJNVASSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-28-18-5-3-16(4-6-18)21(26)24-13-9-17(10-14-24)25-19(20(29-2)22(25)27)15-7-11-23-12-8-15/h3-8,11-12,17,19-20H,9-10,13-14H2,1-2H3/t19-,20+/m0/s1.
What are the key properties of (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one?
(3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one has a molecular weight of 395.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-methoxy-1-[1-(4-methoxybenzoyl)piperidin-4-yl]-4-pyridin-4-ylazetidin-2-one is sourced from PubChem (CID 91911520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).