N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide

C16H21N5O2S — CID 139021545

IUPACN-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
SMILESO=C(NC1CCN(c2ncnc3sccc23)CC1)N1CCOCC1
InChIInChI=1S/C16H21N5O2S/c22-16(21-6-8-23-9-7-21)19-12-1-4-20(5-2-12)14-13-3-10-24-15(13)18-11-17-14/h3,10-12H,1-2,4-9H2,(H,19,22)
InChIKeyBSHRZQKLQCJLLI-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.70
Rot. Bonds2

About N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide

N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide (PubChem CID 139021545) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
PubChem CID139021545
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC NameN-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
SMILESO=C(NC1CCN(c2ncnc3sccc23)CC1)N1CCOCC1
InChIInChI=1S/C16H21N5O2S/c22-16(21-6-8-23-9-7-21)19-12-1-4-20(5-2-12)14-13-3-10-24-15(13)18-11-17-14/h3,10-12H,1-2,4-9H2,(H,19,22)
InChIKeyBSHRZQKLQCJLLI-UHFFFAOYSA-N
XLogP1.70
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-quinazolin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 175650217
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
N-[(1S,2S)-2-methoxycyclohexyl]-4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carboxamide
CID 146129698
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
N-cyclopropyl-1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56867201
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrimidin-4-amine
CID 126887234
1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-3-carboxylic acid
CID 63030992
2,3-dihydro-1,4-benzodioxin-6-yl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 26044226
(3S,5R)-5-(cyclopropylcarbamoyl)-1-thieno[2,3-d]pyrimidin-4-ylpiperidine-3-carboxylic acid
CID 56891475
5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120684892
4-methyl-N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 127896861

Frequently Asked Questions

What is the IUPAC name of N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide?
The IUPAC name of N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide (CID 139021545) is N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide is O=C(NC1CCN(c2ncnc3sccc23)CC1)N1CCOCC1.
What is the InChIKey of N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide?
The InChIKey is BSHRZQKLQCJLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c22-16(21-6-8-23-9-7-21)19-12-1-4-20(5-2-12)14-13-3-10-24-15(13)18-11-17-14/h3,10-12H,1-2,4-9H2,(H,19,22).
What are the key properties of N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide?
N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 139021545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).