1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

C21H34N2O4S — CID 55778343

IUPAC1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C21H34N2O4S/c1-4-5-16-28(25,26)23-14-11-19(12-15-23)21(24)22-13-10-18-6-8-20(9-7-18)27-17(2)3/h6-9,17,19H,4-5,10-16H2,1-3H3,(H,22,24)
InChIKeyMFKASEZTEDDYME-UHFFFAOYSA-N
MW410.58 g/mol
LogP2.97
Rot. Bonds10

About 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide

1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 55778343) has the molecular formula C21H34N2O4S and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID55778343
Molecular FormulaC21H34N2O4S
Molecular Weight410.58 g/mol
Exact Mass410.22
IUPAC Name1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(OC(C)C)cc2)CC1
InChIInChI=1S/C21H34N2O4S/c1-4-5-16-28(25,26)23-14-11-19(12-15-23)21(24)22-13-10-18-6-8-20(9-7-18)27-17(2)3/h6-9,17,19H,4-5,10-16H2,1-3H3,(H,22,24)
InChIKeyMFKASEZTEDDYME-UHFFFAOYSA-N
XLogP2.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methylsulfonyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 38006975
1-(dimethylsulfamoyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 56921867
1-ethylsulfonyl-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 132660565
(3S)-1-(3-phenylpropylsulfonyl)-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 92646552
N-[2-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 4072850
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
1-butylsulfonyl-N-[(3,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 113005041
N-[2-(4-propan-2-yloxyphenyl)ethyl]thietane-3-carboxamide
CID 126828920
(3S)-1-(3-phenylpropylsulfonyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 92675636
1-[(4-bromophenyl)methylsulfonyl]-N-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28632134
N-[(2S,3R)-2-benzyl-3-hydroxy-2-methylbutyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 99795554
N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 113004651

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide (CID 55778343) is 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(OC(C)C)cc2)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is MFKASEZTEDDYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4S/c1-4-5-16-28(25,26)23-14-11-19(12-15-23)21(24)22-13-10-18-6-8-20(9-7-18)27-17(2)3/h6-9,17,19H,4-5,10-16H2,1-3H3,(H,22,24).
What are the key properties of 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 410.58 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).