N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C18H18Cl2N2O2S — CID 1078726

IUPACN-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H18Cl2N2O2S/c19-14-4-3-13(15(20)10-14)11-21-17(23)12-5-7-22(8-6-12)18(24)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2,(H,21,23)
InChIKeyIHCMFSOUARITLX-UHFFFAOYSA-N
MW397.33 g/mol
LogP4.22
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1078726) has the molecular formula C18H18Cl2N2O2S and a molecular weight of 397.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1078726
Molecular FormulaC18H18Cl2N2O2S
Molecular Weight397.33 g/mol
Exact Mass396.05
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H18Cl2N2O2S/c19-14-4-3-13(15(20)10-14)11-21-17(23)12-5-7-22(8-6-12)18(24)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2,(H,21,23)
InChIKeyIHCMFSOUARITLX-UHFFFAOYSA-N
XLogP4.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.33
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1078726) is N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is IHCMFSOUARITLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2S/c19-14-4-3-13(15(20)10-14)11-21-17(23)12-5-7-22(8-6-12)18(24)16-2-1-9-25-16/h1-4,9-10,12H,5-8,11H2,(H,21,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 397.33 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1078726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).