[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C16H27N5OS — CID 71784737

IUPAC[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CN2CCN(C)CC2C)CC1
InChIInChI=1S/C16H27N5OS/c1-12-10-19(3)8-9-21(12)11-14-4-6-20(7-5-14)16(22)15-13(2)17-18-23-15/h12,14H,4-11H2,1-3H3
InChIKeyNVICHEXYXGHPQB-UHFFFAOYSA-N
MW337.49 g/mol
LogP1.33
Rot. Bonds3

About [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71784737) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID71784737
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CN2CCN(C)CC2C)CC1
InChIInChI=1S/C16H27N5OS/c1-12-10-19(3)8-9-21(12)11-14-4-6-20(7-5-14)16(22)15-13(2)17-18-23-15/h12,14H,4-11H2,1-3H3
InChIKeyNVICHEXYXGHPQB-UHFFFAOYSA-N
XLogP1.33
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone with MolForge

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Related Compounds

(4-Methylthiadiazol-5-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 2746451
4-[(4-Methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperazinecarbaldehyde
CID 7293413
4-methyl-N-[[(3R)-1-(2-methylpropyl)piperidin-3-yl]methyl]thiadiazole-5-carboxamide
CID 95209726
cyclobutyl-[(1R,5S)-6-(4-methylthiadiazole-5-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 164635375
1-(4-Methyl-1,2,3-thiadiazole-5-carbonyl)-4-(propan-2-YL)piperazine
CID 53016991
(4-(2-Fluoroethyl)piperazin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 121021918
1-Ethyl-4-(3-{1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]-4-piperidinyl}propanoyl)piperazine
CID 31015603
[(4aR,8aR)-6-(3-methylbutyl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42378253
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1,2,3-thiadiazole-5-carboxamide
CID 45558233
(4-((2,4-Dimethylpiperazin-1-yl)methyl)piperidin-1-yl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone diformate
CID 71784736
(4-{[(S)-2-methyl-4-methyl-1-piperazinyl]methyl}-1-piperidyl)(4-methyl-1,2,3-thiadiazol-5-yl)methanone
CID 97039596
(4-Methylthiadiazol-5-yl)-piperidin-1-ylmethanone
CID 7576676

Frequently Asked Questions

What is the IUPAC name of [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 71784737) is [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(CN2CCN(C)CC2C)CC1.
What is the InChIKey of [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is NVICHEXYXGHPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-12-10-19(3)8-9-21(12)11-14-4-6-20(7-5-14)16(22)15-13(2)17-18-23-15/h12,14H,4-11H2,1-3H3.
What are the key properties of [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 337.49 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,4-dimethylpiperazin-1-yl)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71784737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).