N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide

C16H22N4OS — CID 36790347

IUPACN-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C16H22N4OS/c1-2-3-7-17-16(21)12-4-8-20(9-5-12)15-14-13(6-10-22-14)18-11-19-15/h6,10-12H,2-5,7-9H2,1H3,(H,17,21)
InChIKeyLGTYBLZZDPBJBF-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.82
Rot. Bonds5

About N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide

N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide (PubChem CID 36790347) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
PubChem CID36790347
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC NameN-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide
SMILESCCCCNC(=O)C1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C16H22N4OS/c1-2-3-7-17-16(21)12-4-8-20(9-5-12)15-14-13(6-10-22-14)18-11-19-15/h6,10-12H,2-5,7-9H2,1H3,(H,17,21)
InChIKeyLGTYBLZZDPBJBF-UHFFFAOYSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395507
N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289963
1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
[(3S)-3-methylpiperidin-1-yl]-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 36835902
N-[(3R,4S)-3-ethyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl]cyclohexanecarboxamide;formic acid
CID 171709970
1-(5-bromo-3-methyl-2-pyridinyl)-N-butylpiperidine-4-carboxamide
CID 133373806
N-butyl-1-(2-chloro-4-pyridinyl)piperidine-4-carboxamide
CID 133373804
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
CID 133408735
1-[(2S)-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)azepan-1-yl]ethanone
CID 95617572
N-butyl-1-quinazolin-4-ylpiperidine-3-carboxamide
CID 49431629
N-butyl-1-(6-methylquinazolin-4-yl)piperidine-3-carboxamide
CID 133278233
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide (CID 36790347) is N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide is CCCCNC(=O)C1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide?
The InChIKey is LGTYBLZZDPBJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-2-3-7-17-16(21)12-4-8-20(9-5-12)15-14-13(6-10-22-14)18-11-19-15/h6,10-12H,2-5,7-9H2,1H3,(H,17,21).
What are the key properties of N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide?
N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-thieno[3,2-d]pyrimidin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 36790347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).