(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone

C22H32N2O5S — CID 55996730

IUPAC(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N2O5S/c1-3-16-30(27,28)24-13-5-4-6-20(24)22(26)23-14-11-18(12-15-23)21(25)17-7-9-19(29-2)10-8-17/h7-10,18,20H,3-6,11-16H2,1-2H3
InChIKeyCMUMVILZCAGDBJ-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.71
Rot. Bonds7

About (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 55996730) has the molecular formula C22H32N2O5S and a molecular weight of 436.57 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone
PubChem CID55996730
Molecular FormulaC22H32N2O5S
Molecular Weight436.57 g/mol
Exact Mass436.20
IUPAC Name(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N2O5S/c1-3-16-30(27,28)24-13-5-4-6-20(24)22(26)23-14-11-18(12-15-23)21(25)17-7-9-19(29-2)10-8-17/h7-10,18,20H,3-6,11-16H2,1-2H3
InChIKeyCMUMVILZCAGDBJ-UHFFFAOYSA-N
XLogP2.71
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 55431186
azocan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 56798256
2-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 55993696
1,4-diazepan-1-yl-(1-propylsulfonylpiperidin-2-yl)methanone
CID 119418612
1-(1-propylsulfonylpiperidine-2-carbonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55991046
[1-(4-tert-butylcyclohexanecarbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 41307097
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-(4-propoxyphenoxy)ethanone
CID 55501802
N-cyclopropyl-2-oxo-2-[4-(1-propylsulfonylpiperidine-2-carbonyl)piperazin-1-yl]acetamide
CID 55992321
(4-methoxyphenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 94244239
1-[4-(4-methoxybenzoyl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 41307378
(4-hydroxy-3-methylpiperidin-1-yl)-(1-propylsulfonylpyrrolidin-2-yl)methanone
CID 114680203
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone (CID 55996730) is (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone is CCCS(=O)(=O)N1CCCCC1C(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is CMUMVILZCAGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O5S/c1-3-16-30(27,28)24-13-5-4-6-20(24)22(26)23-14-11-18(12-15-23)21(25)17-7-9-19(29-2)10-8-17/h7-10,18,20H,3-6,11-16H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 436.57 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(1-propylsulfonylpiperidine-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55996730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).