N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

C15H21N3O5S — CID 43054004

IUPACN-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(OCC(N)=O)c2)C1
InChIInChI=1S/C15H21N3O5S/c1-24(21,22)18-7-3-4-11(9-18)15(20)17-12-5-2-6-13(8-12)23-10-14(16)19/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyBHZBTAWRWXZTKS-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.16
Rot. Bonds6

About N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide

N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 43054004) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID43054004
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC NameN-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCS(=O)(=O)N1CCCC(C(=O)Nc2cccc(OCC(N)=O)c2)C1
InChIInChI=1S/C15H21N3O5S/c1-24(21,22)18-7-3-4-11(9-18)15(20)17-12-5-2-6-13(8-12)23-10-14(16)19/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H2,16,19)(H,17,20)
InChIKeyBHZBTAWRWXZTKS-UHFFFAOYSA-N
XLogP0.16
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4-fluorophenyl)methoxy]phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 43061762
(3R)-1-methylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95119279
(3S)-N-(3-fluorophenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258343
2-[3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]phenyl]acetic acid
CID 154750724
(3S)-N-(3-methylsulfanylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258371
(3S)-1-ethylsulfonyl-N-(3-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 95118412
N-[3-(dimethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556995
4-amino-N-[3-(2-amino-2-oxoethoxy)phenyl]cyclohexane-1-carboxamide
CID 60849251
(3R)-1-methylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 33173212
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 24669179
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 43054004) is N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is CS(=O)(=O)N1CCCC(C(=O)Nc2cccc(OCC(N)=O)c2)C1.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is BHZBTAWRWXZTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-24(21,22)18-7-3-4-11(9-18)15(20)17-12-5-2-6-13(8-12)23-10-14(16)19/h2,5-6,8,11H,3-4,7,9-10H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)phenyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 43054004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).