[1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C24H35N3O5S — CID 55469718

IUPAC[1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C24H35N3O5S/c1-18-7-3-4-14-27(18)33(30,31)22-17-20(8-9-21(22)32-2)24(29)26-15-10-19(11-16-26)23(28)25-12-5-6-13-25/h8-9,17-19H,3-7,10-16H2,1-2H3
InChIKeyAWSWEAFMTUYTDP-UHFFFAOYSA-N
MW477.63 g/mol
LogP2.73
Rot. Bonds5

About [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 55469718) has the molecular formula C24H35N3O5S and a molecular weight of 477.63 g/mol. Its IUPAC name is [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID55469718
Molecular FormulaC24H35N3O5S
Molecular Weight477.63 g/mol
Exact Mass477.23
IUPAC Name[1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1S(=O)(=O)N1CCCCC1C
InChIInChI=1S/C24H35N3O5S/c1-18-7-3-4-14-27(18)33(30,31)22-17-20(8-9-21(22)32-2)24(29)26-15-10-19(11-16-26)23(28)25-12-5-6-13-25/h8-9,17-19H,3-7,10-16H2,1-2H3
InChIKeyAWSWEAFMTUYTDP-UHFFFAOYSA-N
XLogP2.73
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 55718739
[1-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 55949051
N-(4-acetamidophenyl)-4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41101385
(2-methoxyphenyl) 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 8778455
phenyl 4-methoxy-3-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 7984818
N-(cyclopropylmethyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 43050283
4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-prop-2-enylbenzamide
CID 9442145
N-(4-chlorophenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4794100
N-cyclohexyl-N-ethyl-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 24632509
N-(3,5-dimethoxyphenyl)-4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46651292
[(2S)-1-methoxy-1-oxopropan-2-yl] 4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzoate
CID 51480092
2,3-dihydro-1,4-benzothiazin-4-yl-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 42892997

Frequently Asked Questions

What is the IUPAC name of [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 55469718) is [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is COc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1S(=O)(=O)N1CCCCC1C.
What is the InChIKey of [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AWSWEAFMTUYTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O5S/c1-18-7-3-4-14-27(18)33(30,31)22-17-20(8-9-21(22)32-2)24(29)26-15-10-19(11-16-26)23(28)25-12-5-6-13-25/h8-9,17-19H,3-7,10-16H2,1-2H3.
What are the key properties of [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 477.63 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-methoxy-3-(2-methylpiperidin-1-yl)sulfonylbenzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 55469718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).