N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

C24H33N3O2S — CID 55660182

IUPACN-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)c1ccsc1
InChIInChI=1S/C24H33N3O2S/c1-4-26(5-2)22(21-12-14-30-17-21)15-25-23(28)20-7-6-13-27(16-20)24(29)19-10-8-18(3)9-11-19/h8-12,14,17,20,22H,4-7,13,15-16H2,1-3H3,(H,25,28)
InChIKeyRSFJXWMZMOUSJM-UHFFFAOYSA-N
MW427.61 g/mol
LogP4.11
Rot. Bonds8

About N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 55660182) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID55660182
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCCN(CC)C(CNC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)c1ccsc1
InChIInChI=1S/C24H33N3O2S/c1-4-26(5-2)22(21-12-14-30-17-21)15-25-23(28)20-7-6-13-27(16-20)24(29)19-10-8-18(3)9-11-19/h8-12,14,17,20,22H,4-7,13,15-16H2,1-3H3,(H,25,28)
InChIKeyRSFJXWMZMOUSJM-UHFFFAOYSA-N
XLogP4.11
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.61
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-N-[(2R)-2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-1,3-dicarboxamide
CID 94023540
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 60510595
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
(3S)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-propanoylpiperidine-3-carboxamide
CID 94799885
(3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 95971953
N-[2-(diethylamino)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 46529020
(2R)-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-5-oxopyrrolidine-2-carboxamide
CID 94172389
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 47056166
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55746666
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
(3R)-1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 95190901
1-(4-methylbenzoyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 47730082

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 55660182) is N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is CCN(CC)C(CNC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1)c1ccsc1.
What is the InChIKey of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is RSFJXWMZMOUSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-4-26(5-2)22(21-12-14-30-17-21)15-25-23(28)20-7-6-13-27(16-20)24(29)19-10-8-18(3)9-11-19/h8-12,14,17,20,22H,4-7,13,15-16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 427.61 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 55660182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).