(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide

C15H21N3O4S — CID 41447175

IUPAC(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O4S/c1-2-23(21,22)18-9-3-4-12(10-18)15(20)17-13-7-5-11(6-8-13)14(16)19/h5-8,12H,2-4,9-10H2,1H3,(H2,16,19)(H,17,20)/t12-/m1/s1
InChIKeyBLELNPDUIOKJSA-GFCCVEGCSA-N
MW339.42 g/mol
LogP0.79
Rot. Bonds5

About (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide

(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide (PubChem CID 41447175) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
PubChem CID41447175
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC Name(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
SMILESCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C15H21N3O4S/c1-2-23(21,22)18-9-3-4-12(10-18)15(20)17-13-7-5-11(6-8-13)14(16)19/h5-8,12H,2-4,9-10H2,1H3,(H2,16,19)(H,17,20)/t12-/m1/s1
InChIKeyBLELNPDUIOKJSA-GFCCVEGCSA-N
XLogP0.79
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-ethylsulfonyl-N-(4-iodophenyl)piperidine-3-carboxamide
CID 41447084
(3R)-N-(4-ethylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447063
2-[[4-[(1-ethylsulfonylpiperidine-3-carbonyl)amino]benzoyl]amino]acetic acid
CID 119220408
1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 17018131
N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3938384
(3R)-N-(4-carbamoylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9207175
(3R)-N-(4-carbamoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9207182
N-(4-carbamoylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 60527480
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
(3S)-N-(4-carbamoylphenyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9076312
(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 (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide (CID 41447175) is (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide is CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)C1.
What is the InChIKey of (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
The InChIKey is BLELNPDUIOKJSA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-2-23(21,22)18-9-3-4-12(10-18)15(20)17-13-7-5-11(6-8-13)14(16)19/h5-8,12H,2-4,9-10H2,1H3,(H2,16,19)(H,17,20)/t12-/m1/s1.
What are the key properties of (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide?
(3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-carbamoylphenyl)-1-ethylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41447175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).