[1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C24H35N3O3 — CID 24819016

IUPAC[1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)cc1C
InChIInChI=1S/C24H35N3O3/c1-18-3-4-21(17-19(18)2)24(29)26-11-7-22(8-12-26)25-9-5-20(6-10-25)23(28)27-13-15-30-16-14-27/h3-4,17,20,22H,5-16H2,1-2H3
InChIKeyCPLHKBACQURKEK-UHFFFAOYSA-N
MW413.56 g/mol
LogP2.48
Rot. Bonds3

About [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 24819016) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID24819016
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name[1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)cc1C
InChIInChI=1S/C24H35N3O3/c1-18-3-4-21(17-19(18)2)24(29)26-11-7-22(8-12-26)25-9-5-20(6-10-25)23(28)27-13-15-30-16-14-27/h3-4,17,20,22H,5-16H2,1-2H3
InChIKeyCPLHKBACQURKEK-UHFFFAOYSA-N
XLogP2.48
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 24819016) is [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone is Cc1ccc(C(=O)N2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)cc1C.
What is the InChIKey of [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is CPLHKBACQURKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-18-3-4-21(17-19(18)2)24(29)26-11-7-22(8-12-26)25-9-5-20(6-10-25)23(28)27-13-15-30-16-14-27/h3-4,17,20,22H,5-16H2,1-2H3.
What are the key properties of [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 413.56 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 24819016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).