1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide

C22H28ClN3O3S — CID 55625377

IUPAC1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCC(c2ccsc2)N(C)C)CC1
InChIInChI=1S/C22H28ClN3O3S/c1-25(2)19(16-8-11-30-14-16)13-24-21(27)15-6-9-26(10-7-15)22(28)18-12-17(23)4-5-20(18)29-3/h4-5,8,11-12,14-15,19H,6-7,9-10,13H2,1-3H3,(H,24,27)
InChIKeyMXFJSUDPYAYQAE-UHFFFAOYSA-N
MW450.00 g/mol
LogP3.68
Rot. Bonds7

About 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide

1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide (PubChem CID 55625377) has the molecular formula C22H28ClN3O3S and a molecular weight of 450.00 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide
PubChem CID55625377
Molecular FormulaC22H28ClN3O3S
Molecular Weight450.00 g/mol
Exact Mass449.15
IUPAC Name1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCC(c2ccsc2)N(C)C)CC1
InChIInChI=1S/C22H28ClN3O3S/c1-25(2)19(16-8-11-30-14-16)13-24-21(27)15-6-9-26(10-7-15)22(28)18-12-17(23)4-5-20(18)29-3/h4-5,8,11-12,14-15,19H,6-7,9-10,13H2,1-3H3,(H,24,27)
InChIKeyMXFJSUDPYAYQAE-UHFFFAOYSA-N
XLogP3.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.00
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide
CID 43060747
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 32634657
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
N-(3-anilinopropyl)-1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 56586390
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
1-(5-chloro-2-methoxybenzoyl)-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 55899749
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
1-(5-chloro-2-methoxybenzoyl)-N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 55788299
1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55949123
1-(5-chloro-2-methoxybenzoyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-4-carboxamide
CID 47865084
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555592
1-(5-chloro-2-methoxybenzoyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 55623180

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide (CID 55625377) is 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide is COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCC(c2ccsc2)N(C)C)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide?
The InChIKey is MXFJSUDPYAYQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3S/c1-25(2)19(16-8-11-30-14-16)13-24-21(27)15-6-9-26(10-7-15)22(28)18-12-17(23)4-5-20(18)29-3/h4-5,8,11-12,14-15,19H,6-7,9-10,13H2,1-3H3,(H,24,27).
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide?
1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide has a molecular weight of 450.00 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55625377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).