1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide

C21H23N3O2S — CID 7216984

IUPAC1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
SMILESC[C@@H](c1ccccc1)n1c(C(=O)N2CCC(C(N)=O)CC2)cc2ccsc21
InChIInChI=1S/C21H23N3O2S/c1-14(15-5-3-2-4-6-15)24-18(13-17-9-12-27-21(17)24)20(26)23-10-7-16(8-11-23)19(22)25/h2-6,9,12-14,16H,7-8,10-11H2,1H3,(H2,22,25)/t14-/m0/s1
InChIKeyHRCWNHIBKNRKHF-AWEZNQCLSA-N
MW381.50 g/mol
LogP3.65
Rot. Bonds4

About 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide

1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide (PubChem CID 7216984) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
PubChem CID7216984
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC Name1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
SMILESC[C@@H](c1ccccc1)n1c(C(=O)N2CCC(C(N)=O)CC2)cc2ccsc21
InChIInChI=1S/C21H23N3O2S/c1-14(15-5-3-2-4-6-15)24-18(13-17-9-12-27-21(17)24)20(26)23-10-7-16(8-11-23)19(22)25/h2-6,9,12-14,16H,7-8,10-11H2,1H3,(H2,22,25)/t14-/m0/s1
InChIKeyHRCWNHIBKNRKHF-AWEZNQCLSA-N
XLogP3.65
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(1-phenylethyl)thieno[2,3-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42797249
2,2-dimethyl-1-[(2R)-2-methyl-4-[6-[(1R)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperazin-1-yl]propan-1-one
CID 93117088
1-[6-[(2-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7260864
N,6-bis(1-phenylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 42797250
1-[6-[(4-fluorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide
CID 7249390
[2-methyl-4-[(1R)-1-phenylethyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 92987278
6-[(1S)-1-phenylethyl]-N-(2-pyridin-2-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7306888
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
1-(2-amino-2-phenylacetyl)piperidine-4-carboxamide
CID 24695590
1-(6-phenylimidazo[2,1-b][1,3]thiazole-3-carbonyl)piperidine-4-carboxamide
CID 42270233
2-[2-(4-carbamoylpiperidine-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119179243
1-N-benzhydrylpiperidine-1,4-dicarboxamide
CID 108867553

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide (CID 7216984) is 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide is C[C@@H](c1ccccc1)n1c(C(=O)N2CCC(C(N)=O)CC2)cc2ccsc21.
What is the InChIKey of 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
The InChIKey is HRCWNHIBKNRKHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-14(15-5-3-2-4-6-15)24-18(13-17-9-12-27-21(17)24)20(26)23-10-7-16(8-11-23)19(22)25/h2-6,9,12-14,16H,7-8,10-11H2,1H3,(H2,22,25)/t14-/m0/s1.
What are the key properties of 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide?
1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(1S)-1-phenylethyl]thieno[2,3-b]pyrrole-5-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 7216984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).