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

C20H20ClN3O2S — CID 20974439

IUPACN-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1
InChIInChI=1S/C20H20ClN3O2S/c21-16-3-1-13(2-4-16)12-22-18(25)14-5-8-24(9-6-14)20(26)17-11-15-7-10-27-19(15)23-17/h1-4,7,10-11,14,23H,5-6,8-9,12H2,(H,22,25)
InChIKeyHBPATVPVHHCYLF-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.05
Rot. Bonds4

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

N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide (PubChem CID 20974439) has the molecular formula C20H20ClN3O2S and a molecular weight of 401.92 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
PubChem CID20974439
Molecular FormulaC20H20ClN3O2S
Molecular Weight401.92 g/mol
Exact Mass401.10
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1
InChIInChI=1S/C20H20ClN3O2S/c21-16-3-1-13(2-4-16)12-22-18(25)14-5-8-24(9-6-14)20(26)17-11-15-7-10-27-19(15)23-17/h1-4,7,10-11,14,23H,5-6,8-9,12H2,(H,22,25)
InChIKeyHBPATVPVHHCYLF-UHFFFAOYSA-N
XLogP4.05
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20974472
N-[(4-butoxyphenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20974471
N-[(4-chlorophenyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396099
N-[(4-chlorophenyl)methyl]-1-(2-fluorobenzoyl)piperidine-4-carboxamide
CID 17019078
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(4-chlorophenyl)methyl]-1-(4-nitrobenzoyl)piperidine-4-carboxamide
CID 1301555
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113004292
N-benzyl-1-(3,5-dichlorobenzoyl)piperidine-4-carboxamide
CID 41305444
1-[6-[(4-chlorophenyl)methyl]thieno[2,3-b]pyrrole-5-carbonyl]-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 50830856
N-[(4-chlorophenyl)methyl]-4-(4-methylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147370

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide (CID 20974439) is N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2cc3ccsc3[nH]2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
The InChIKey is HBPATVPVHHCYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2S/c21-16-3-1-13(2-4-16)12-22-18(25)14-5-8-24(9-6-14)20(26)17-11-15-7-10-27-19(15)23-17/h1-4,7,10-11,14,23H,5-6,8-9,12H2,(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide has a molecular weight of 401.92 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(6H-thieno[2,3-b]pyrrole-5-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 20974439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).