[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C22H28N2O3 — CID 47067179

IUPAC[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)oc2ccccc12
InChIInChI=1S/C22H28N2O3/c1-15-7-11-23(12-8-15)21(25)17-9-13-24(14-10-17)22(26)20-16(2)18-5-3-4-6-19(18)27-20/h3-6,15,17H,7-14H2,1-2H3
InChIKeyZALDMVYFDIEDMK-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.85
Rot. Bonds2

About [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 47067179) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID47067179
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)oc2ccccc12
InChIInChI=1S/C22H28N2O3/c1-15-7-11-23(12-8-15)21(25)17-9-13-24(14-10-17)22(26)20-16(2)18-5-3-4-6-19(18)27-20/h3-6,15,17H,7-14H2,1-2H3
InChIKeyZALDMVYFDIEDMK-UHFFFAOYSA-N
XLogP3.85
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-bromo-3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 60550137
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
(3-methyl-1-benzofuran-2-yl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 16676076
(2-chlorophenyl)-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]methanone
CID 17482867
2-methyl-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]propanamide
CID 20926300
(4-amino-3,3-dimethylpiperidin-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 120817018
[3-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119487178
1-(3-methyl-1-benzofuran-2-carbonyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931370
2-(4-methylphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 22511152
[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3692836

Frequently Asked Questions

What is the IUPAC name of [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 47067179) is [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1c(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)oc2ccccc12.
What is the InChIKey of [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is ZALDMVYFDIEDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15-7-11-23(12-8-15)21(25)17-9-13-24(14-10-17)22(26)20-16(2)18-5-3-4-6-19(18)27-20/h3-6,15,17H,7-14H2,1-2H3.
What are the key properties of [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 368.48 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 47067179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).