(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone

C15H22N4OS — CID 127265950

IUPAC(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
SMILESO=C(c1cc(N2CCCCC2)ncn1)N1CCCSCC1
InChIInChI=1S/C15H22N4OS/c20-15(19-7-4-9-21-10-8-19)13-11-14(17-12-16-13)18-5-2-1-3-6-18/h11-12H,1-10H2
InChIKeyGFIKNZGSEICUFS-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.05
Rot. Bonds2

About (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone

(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone (PubChem CID 127265950) has the molecular formula C15H22N4OS and a molecular weight of 306.43 g/mol. Its IUPAC name is (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone.

Molecular Properties

Compound Name(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
PubChem CID127265950
Molecular FormulaC15H22N4OS
Molecular Weight306.43 g/mol
Exact Mass306.15
IUPAC Name(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone
SMILESO=C(c1cc(N2CCCCC2)ncn1)N1CCCSCC1
InChIInChI=1S/C15H22N4OS/c20-15(19-7-4-9-21-10-8-19)13-11-14(17-12-16-13)18-5-2-1-3-6-18/h11-12H,1-10H2
InChIKeyGFIKNZGSEICUFS-UHFFFAOYSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azepan-1-yl-(6-morpholin-4-ylpyrimidin-4-yl)methanone
CID 109343493
(4-methylpiperazin-1-yl)-(6-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109341569
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
azepan-1-yl-[1-(6-thiomorpholin-4-ylpyrimidin-4-yl)imidazol-4-yl]methanone
CID 53172126
4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carbaldehyde
CID 109345763
azepan-1-yl-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]methanone
CID 109352074
[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109341009
ethyl 4-[6-(azepan-1-yl)pyrimidine-4-carbonyl]piperazine-1-carboxylate
CID 109352856
azepan-1-yl-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352160
[1-(6-piperidin-1-ylpyrimidin-4-yl)imidazol-4-yl]-pyrrolidin-1-ylmethanone
CID 53171940
azepan-1-yl-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352915
6-(pyrrolidine-1-carbonyl)pyrimidine-4-carboxylic acid
CID 83707447

Frequently Asked Questions

What is the IUPAC name of (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone?
The IUPAC name of (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone (CID 127265950) is (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone.
What is the SMILES notation for (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone?
The canonical SMILES for (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone is O=C(c1cc(N2CCCCC2)ncn1)N1CCCSCC1.
What is the InChIKey of (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone?
The InChIKey is GFIKNZGSEICUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c20-15(19-7-4-9-21-10-8-19)13-11-14(17-12-16-13)18-5-2-1-3-6-18/h11-12H,1-10H2.
What are the key properties of (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone?
(6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone has a molecular weight of 306.43 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-piperidin-1-ylpyrimidin-4-yl)-(1,4-thiazepan-4-yl)methanone is sourced from PubChem (CID 127265950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).