N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C20H23ClN2O2S — CID 46591771

IUPACN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H23ClN2O2S/c1-14(16-5-3-6-17(21)13-16)22(2)19(24)15-8-10-23(11-9-15)20(25)18-7-4-12-26-18/h3-7,12-15H,8-11H2,1-2H3
InChIKeyNFIRFJDKWNWHEC-UHFFFAOYSA-N
MW390.94 g/mol
LogP4.47
Rot. Bonds4

About N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 46591771) has the molecular formula C20H23ClN2O2S and a molecular weight of 390.94 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID46591771
Molecular FormulaC20H23ClN2O2S
Molecular Weight390.94 g/mol
Exact Mass390.12
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C20H23ClN2O2S/c1-14(16-5-3-6-17(21)13-16)22(2)19(24)15-8-10-23(11-9-15)20(25)18-7-4-12-26-18/h3-7,12-15H,8-11H2,1-2H3
InChIKeyNFIRFJDKWNWHEC-UHFFFAOYSA-N
XLogP4.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.94
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42951798
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 34152158
N-methyl-N-(1-phenylethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062209
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(3-phenylprop-2-enoyl)piperidine-4-carboxamide
CID 75199924
[(1R)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]azanium
CID 8710418
N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 9479280
N-[1-(3-chlorophenyl)ethyl]-N-methylazepane-1-carboxamide
CID 116655792
N-benzyl-N-propan-2-yl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224062
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55406950
N-[(3-chlorophenyl)-phenylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55804121

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 46591771) is N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CC(c1cccc(Cl)c1)N(C)C(=O)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is NFIRFJDKWNWHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2S/c1-14(16-5-3-6-17(21)13-16)22(2)19(24)15-8-10-23(11-9-15)20(25)18-7-4-12-26-18/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 390.94 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46591771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).