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

C22H29N3O2S — CID 27754119

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccc(C)c1
InChIInChI=1S/C22H29N3O2S/c1-3-24(19-7-4-6-17(2)16-19)14-11-23-21(26)18-9-12-25(13-10-18)22(27)20-8-5-15-28-20/h4-8,15-16,18H,3,9-14H2,1-2H3,(H,23,26)
InChIKeyLARHAAYEVMAPGR-UHFFFAOYSA-N
MW399.56 g/mol
LogP3.55
Rot. Bonds7

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

N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 27754119) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID27754119
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESCCN(CCNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccc(C)c1
InChIInChI=1S/C22H29N3O2S/c1-3-24(19-7-4-6-17(2)16-19)14-11-23-21(26)18-9-12-25(13-10-18)22(27)20-8-5-15-28-20/h4-8,15-16,18H,3,9-14H2,1-2H3,(H,23,26)
InChIKeyLARHAAYEVMAPGR-UHFFFAOYSA-N
XLogP3.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 17224083
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831760
N-ethyl-N-(3-methylphenyl)-1-(thiophene-2-carbonyl)azetidine-3-carboxamide
CID 90511068
N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
N-ethoxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 18169040
N-(3-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27647213
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55739345
2,2-dichloro-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopropane-1-carboxamide
CID 78833214
1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
CID 72860260
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 5127937
N-[2-(diethylamino)-3-phenylpropyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46413875
(1S,3R,4R)-3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]-4-methoxycyclohexane-1-carboxamide
CID 154816431

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 27754119) is N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is CCN(CCNC(=O)C1CCN(C(=O)c2cccs2)CC1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is LARHAAYEVMAPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-3-24(19-7-4-6-17(2)16-19)14-11-23-21(26)18-9-12-25(13-10-18)22(27)20-8-5-15-28-20/h4-8,15-16,18H,3,9-14H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 399.56 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 27754119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).