3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one

C24H31N3O3 — CID 171142299

IUPAC3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCC(N3CC(OC)C3c3ccncc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-29-21-6-3-18(4-7-21)5-8-23(28)26-15-11-20(12-16-26)27-17-22(30-2)24(27)19-9-13-25-14-10-19/h3-4,6-7,9-10,13-14,20,22,24H,5,8,11-12,15-17H2,1-2H3
InChIKeyAWKBPMUUQAPAKJ-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.09
Rot. Bonds7

About 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one

3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one (PubChem CID 171142299) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one
PubChem CID171142299
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCC(N3CC(OC)C3c3ccncc3)CC2)cc1
InChIInChI=1S/C24H31N3O3/c1-29-21-6-3-18(4-7-21)5-8-23(28)26-15-11-20(12-16-26)27-17-22(30-2)24(27)19-9-13-25-14-10-19/h3-4,6-7,9-10,13-14,20,22,24H,5,8,11-12,15-17H2,1-2H3
InChIKeyAWKBPMUUQAPAKJ-UHFFFAOYSA-N
XLogP3.09
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methoxyphenyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 136529409
3-(4-methoxyphenyl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558759
1-(3-hydroxypyrrolidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 62917256
1-[(3S)-3-aminopyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one;hydrochloride
CID 119934448
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
3-(4-methoxyphenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 71805673
3-(4-methoxyphenyl)-1-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 127252127
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
1-[4-(3,4-dihydro-2H-pyran-2-ylmethyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 167920245
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114510009
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
(3-fluoro-4-methoxyphenyl)-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171142298

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one (CID 171142299) is 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one is COc1ccc(CCC(=O)N2CCC(N3CC(OC)C3c3ccncc3)CC2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one?
The InChIKey is AWKBPMUUQAPAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-21-6-3-18(4-7-21)5-8-23(28)26-15-11-20(12-16-26)27-17-22(30-2)24(27)19-9-13-25-14-10-19/h3-4,6-7,9-10,13-14,20,22,24H,5,8,11-12,15-17H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one?
3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one has a molecular weight of 409.53 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[4-(3-methoxy-2-pyridin-4-ylazetidin-1-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 171142299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).