(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

C19H26N4O3S — CID 95073353

IUPAC(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)c1
InChIInChI=1S/C19H26N4O3S/c1-2-22-14-18(21-15-22)27(25,26)23-12-6-9-17(13-23)19(24)20-11-10-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,2,6,9-13H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyDCWBFZDTWNKWFV-KRWDZBQOSA-N
MW390.51 g/mol
LogP1.66
Rot. Bonds7

About (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide

(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 95073353) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID95073353
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)c1
InChIInChI=1S/C19H26N4O3S/c1-2-22-14-18(21-15-22)27(25,26)23-12-6-9-17(13-23)19(24)20-11-10-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,2,6,9-13H2,1H3,(H,20,24)/t17-/m0/s1
InChIKeyDCWBFZDTWNKWFV-KRWDZBQOSA-N
XLogP1.66
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073354
1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53085654
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-4-carboxamide
CID 53085488
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95073316
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
N-(3,4-dimethylphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085666
[(3R)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 95073364
1-(1-ethylimidazol-4-yl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 79373841
[1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007837
[(3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 93069029

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide (CID 95073353) is (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is CCn1cnc(S(=O)(=O)N2CCC[C@H](C(=O)NCCc3ccccc3)C2)c1.
What is the InChIKey of (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is DCWBFZDTWNKWFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-2-22-14-18(21-15-22)27(25,26)23-12-6-9-17(13-23)19(24)20-11-10-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,2,6,9-13H2,1H3,(H,20,24)/t17-/m0/s1.
What are the key properties of (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide?
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95073353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).