1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide

C19H30N2O5S — CID 113005041

IUPAC1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O5S/c1-4-5-12-27(23,24)21-10-8-16(9-11-21)19(22)20-14-15-6-7-17(25-2)18(13-15)26-3/h6-7,13,16H,4-5,8-12,14H2,1-3H3,(H,20,22)
InChIKeyCVQQSAYYPCEBAP-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.16
Rot. Bonds9

About 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 113005041) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID113005041
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC Name1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H30N2O5S/c1-4-5-12-27(23,24)21-10-8-16(9-11-21)19(22)20-14-15-6-7-17(25-2)18(13-15)26-3/h6-7,13,16H,4-5,8-12,14H2,1-3H3,(H,20,22)
InChIKeyCVQQSAYYPCEBAP-UHFFFAOYSA-N
XLogP2.16
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550794
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47002026
1-butylsulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 6472190
N-[(4-butoxy-3-methoxyphenyl)methyl]-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide
CID 39970958
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 28550165
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
1-butylsulfonyl-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]piperidine-4-carboxamide
CID 47047056
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92676575
1-(diethylsulfamoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 20967816
1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
CID 55778343
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 43872913
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide (CID 113005041) is 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCc2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is CVQQSAYYPCEBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-4-5-12-27(23,24)21-10-8-16(9-11-21)19(22)20-14-15-6-7-17(25-2)18(13-15)26-3/h6-7,13,16H,4-5,8-12,14H2,1-3H3,(H,20,22).
What are the key properties of 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 113005041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).