N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide

C22H25N3O2S — CID 20974472

IUPACN-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1
InChIInChI=1S/C22H25N3O2S/c1-2-15-3-5-16(6-4-15)14-23-20(26)17-7-10-25(11-8-17)22(27)19-13-18-9-12-28-21(18)24-19/h3-6,9,12-13,17,24H,2,7-8,10-11,14H2,1H3,(H,23,26)
InChIKeyARQGGZKZWZHOBO-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.96
Rot. Bonds5

About N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide

N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 20974472) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
PubChem CID20974472
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
SMILESCCc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1
InChIInChI=1S/C22H25N3O2S/c1-2-15-3-5-16(6-4-15)14-23-20(26)17-7-10-25(11-8-17)22(27)19-13-18-9-12-28-21(18)24-19/h3-6,9,12-13,17,24H,2,7-8,10-11,14H2,1H3,(H,23,26)
InChIKeyARQGGZKZWZHOBO-UHFFFAOYSA-N
XLogP3.96
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20974439
N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20974471
1-[3-(difluoromethylsulfanyl)thiophene-2-carbonyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 86898488
N-benzyl-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperidine-4-carboxamide
CID 78887605
1-(6-chloro-1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-4-carboxamide
CID 46359077
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9400507
N-[(4-fluorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935481
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
1-acetyl-N-[(4-ethylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 110794531
1-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131934712
1-(1-aminocyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119759271

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide (CID 20974472) is N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide is CCc1ccc(CNC(=O)C2CCN(C(=O)c3cc4ccsc4[nH]3)CC2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is ARQGGZKZWZHOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-2-15-3-5-16(6-4-15)14-23-20(26)17-7-10-25(11-8-17)22(27)19-13-18-9-12-28-21(18)24-19/h3-6,9,12-13,17,24H,2,7-8,10-11,14H2,1H3,(H,23,26).
What are the key properties of N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20974472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).