1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide

C16H22N4OS — CID 133408735

IUPAC1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C16H22N4OS/c1-3-6-17-15(21)12-4-7-20(8-5-12)14-13-9-11(2)22-16(13)19-10-18-14/h9-10,12H,3-8H2,1-2H3,(H,17,21)
InChIKeyPJJQXZBFUCRTBI-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.74
Rot. Bonds4

About 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide

1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide (PubChem CID 133408735) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
PubChem CID133408735
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(c2ncnc3sc(C)cc23)CC1
InChIInChI=1S/C16H22N4OS/c1-3-6-17-15(21)12-4-7-20(8-5-12)14-13-9-11(2)22-16(13)19-10-18-14/h9-10,12H,3-8H2,1-2H3,(H,17,21)
InChIKeyPJJQXZBFUCRTBI-UHFFFAOYSA-N
XLogP2.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 63618240
N-(2-hydroxyphenyl)-1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 133408084
1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46362806
3-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]propanoic acid
CID 63618059
4-[4-(chloromethyl)piperidin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 63618427
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 39072808
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 63616717
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129489839
N-cyclopentyl-1-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46362791
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
1-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]pentan-1-one
CID 39072810
N-cyclopropyl-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133407949

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide (CID 133408735) is 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(c2ncnc3sc(C)cc23)CC1.
What is the InChIKey of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide?
The InChIKey is PJJQXZBFUCRTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-6-17-15(21)12-4-7-20(8-5-12)14-13-9-11(2)22-16(13)19-10-18-14/h9-10,12H,3-8H2,1-2H3,(H,17,21).
What are the key properties of 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide?
1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylthieno[2,3-d]pyrimidin-4-yl)-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 133408735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).