N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C22H35N3O3S — CID 78863262

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCCC(CC)C(CNC(=O)C1CCCCN1C(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C22H35N3O3S/c1-3-17(4-2)19(24-11-13-28-14-12-24)16-23-21(26)18-8-5-6-10-25(18)22(27)20-9-7-15-29-20/h7,9,15,17-19H,3-6,8,10-14,16H2,1-2H3,(H,23,26)
InChIKeyZJQTZCBNTGBGOS-UHFFFAOYSA-N
MW421.61 g/mol
LogP3.00
Rot. Bonds8

About N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78863262) has the molecular formula C22H35N3O3S and a molecular weight of 421.61 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78863262
Molecular FormulaC22H35N3O3S
Molecular Weight421.61 g/mol
Exact Mass421.24
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESCCC(CC)C(CNC(=O)C1CCCCN1C(=O)c1cccs1)N1CCOCC1
InChIInChI=1S/C22H35N3O3S/c1-3-17(4-2)19(24-11-13-28-14-12-24)16-23-21(26)18-8-5-6-10-25(18)22(27)20-9-7-15-29-20/h7,9,15,17-19H,3-6,8,10-14,16H2,1-2H3,(H,23,26)
InChIKeyZJQTZCBNTGBGOS-UHFFFAOYSA-N
XLogP3.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.61
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-morpholin-4-ylpropyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78861390
1-benzoyl-N-(3-ethyl-2-morpholin-4-ylpentyl)pyrrolidine-2-carboxamide
CID 112813971
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844704
N-[2-(4-ethylpiperazin-1-yl)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876347
N-[2-(N-methylanilino)propyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876458
N-[2-(dimethylamino)-2-phenylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844749
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2S)-N-[(2S)-1-hydroxybutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 97185302
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
(2S)-N-(2-methyl-3-piperidin-1-ylpropyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55980543
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78863262) is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is CCC(CC)C(CNC(=O)C1CCCCN1C(=O)c1cccs1)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is ZJQTZCBNTGBGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3S/c1-3-17(4-2)19(24-11-13-28-14-12-24)16-23-21(26)18-8-5-6-10-25(18)22(27)20-9-7-15-29-20/h7,9,15,17-19H,3-6,8,10-14,16H2,1-2H3,(H,23,26).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 421.61 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78863262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).