5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide

C22H30N4O2S — CID 46961308

IUPAC5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1
InChIInChI=1S/C22H30N4O2S/c1-16(2)25-9-6-17(7-10-25)24-21(27)20-15-18(19-5-3-4-8-23-19)22(29-20)26-11-13-28-14-12-26/h3-5,8,15-17H,6-7,9-14H2,1-2H3,(H,24,27)
InChIKeyUEFQTADQQHXHFE-UHFFFAOYSA-N
MW414.58 g/mol
LogP3.25
Rot. Bonds5

About 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide

5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide (PubChem CID 46961308) has the molecular formula C22H30N4O2S and a molecular weight of 414.58 g/mol. Its IUPAC name is 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide
PubChem CID46961308
Molecular FormulaC22H30N4O2S
Molecular Weight414.58 g/mol
Exact Mass414.21
IUPAC Name5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1
InChIInChI=1S/C22H30N4O2S/c1-16(2)25-9-6-17(7-10-25)24-21(27)20-15-18(19-5-3-4-8-23-19)22(29-20)26-11-13-28-14-12-26/h3-5,8,15-17H,6-7,9-14H2,1-2H3,(H,24,27)
InChIKeyUEFQTADQQHXHFE-UHFFFAOYSA-N
XLogP3.25
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.58
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 9319192
(5-morpholin-4-yl-4-pyridin-2-ylthiophen-2-yl)-phenylmethanone
CID 1485941
5-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylthiophene-2-carboxamide
CID 95856416
N-methyl-5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-4-ylthiophene-2-carboxamide
CID 46953653
N-(3-methyl-2-pyridinyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 35033029
N-(1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-4-ylthiophene-2-carboxamide
CID 110237363
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 5-morpholin-4-yl-4-phenylthiophene-2-carboxylate
CID 9126685
5-morpholin-4-yl-4-phenyl-N-[3-(trifluoromethyl)cyclohexyl]thiophene-2-carboxamide
CID 24621446
N-(4-hydroxy-1,1-dioxothiolan-3-yl)-5-morpholin-4-yl-4-pyridin-3-ylthiophene-2-carboxamide
CID 46953657
N-(cyclopropylmethyl)-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 43047282
5-morpholin-4-yl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenylthiophene-2-carboxamide
CID 27861002
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide?
The IUPAC name of 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide (CID 46961308) is 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide?
The canonical SMILES for 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc(-c3ccccn3)c(N3CCOCC3)s2)CC1.
What is the InChIKey of 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide?
The InChIKey is UEFQTADQQHXHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2S/c1-16(2)25-9-6-17(7-10-25)24-21(27)20-15-18(19-5-3-4-8-23-19)22(29-20)26-11-13-28-14-12-26/h3-5,8,15-17H,6-7,9-14H2,1-2H3,(H,24,27).
What are the key properties of 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide?
5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide has a molecular weight of 414.58 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-yl-N-(1-propan-2-ylpiperidin-4-yl)-4-pyridin-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 46961308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).