[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone

C24H30N2O3S — CID 53150030

IUPAC[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC(COc3ccc(C(=O)N4CCCCC4)cc3)C2)s1
InChIInChI=1S/C24H30N2O3S/c1-18-7-12-22(30-18)24(28)26-15-5-6-19(16-26)17-29-21-10-8-20(9-11-21)23(27)25-13-3-2-4-14-25/h7-12,19H,2-6,13-17H2,1H3
InChIKeyHGLLUPOWYVWJFP-UHFFFAOYSA-N
MW426.58 g/mol
LogP4.61
Rot. Bonds5

About [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone

[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone (PubChem CID 53150030) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
PubChem CID53150030
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC Name[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
SMILESCc1ccc(C(=O)N2CCCC(COc3ccc(C(=O)N4CCCCC4)cc3)C2)s1
InChIInChI=1S/C24H30N2O3S/c1-18-7-12-22(30-18)24(28)26-15-5-6-19(16-26)17-29-21-10-8-20(9-11-21)23(27)25-13-3-2-4-14-25/h7-12,19H,2-6,13-17H2,1H3
InChIKeyHGLLUPOWYVWJFP-UHFFFAOYSA-N
XLogP4.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584
[(3R)-3-[[4-(4-methylpiperidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]-phenylmethanone
CID 95097695
3-methyl-1-[3-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]butan-1-one
CID 53150067
[4-[[(3S)-1-(1-methylpyrrole-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097621
[4-[[(3R)-1-(3-chlorobenzoyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone
CID 95097466
[4-[[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]methoxy]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 95097674
[4-[[1-(3,5-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150155
[4-[[(3R)-1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097592
(4-methylpiperidin-1-yl)-[4-[[1-(thiophene-3-carbonyl)piperidin-3-yl]methoxy]phenyl]methanone
CID 53150128
1-[4-(cyclopropylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119167329
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone (CID 53150030) is [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone is Cc1ccc(C(=O)N2CCCC(COc3ccc(C(=O)N4CCCCC4)cc3)C2)s1.
What is the InChIKey of [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
The InChIKey is HGLLUPOWYVWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-18-7-12-22(30-18)24(28)26-15-5-6-19(16-26)17-29-21-10-8-20(9-11-21)23(27)25-13-3-2-4-14-25/h7-12,19H,2-6,13-17H2,1H3.
What are the key properties of [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone?
[4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone has a molecular weight of 426.58 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]methoxy]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53150030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).