1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

C19H31N5O3S — CID 55912149

IUPAC1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCC(C)C(CNC(=O)N1CCCC(C(=O)Nc2nccs2)C1)N1CCOCC1
InChIInChI=1S/C19H31N5O3S/c1-14(2)16(23-7-9-27-10-8-23)12-21-19(26)24-6-3-4-15(13-24)17(25)22-18-20-5-11-28-18/h5,11,14-16H,3-4,6-10,12-13H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyMNNIBAVKEMVMHI-UHFFFAOYSA-N
MW409.56 g/mol
LogP1.86
Rot. Bonds6

About 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide

1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (PubChem CID 55912149) has the molecular formula C19H31N5O3S and a molecular weight of 409.56 g/mol. Its IUPAC name is 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
PubChem CID55912149
Molecular FormulaC19H31N5O3S
Molecular Weight409.56 g/mol
Exact Mass409.21
IUPAC Name1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide
SMILESCC(C)C(CNC(=O)N1CCCC(C(=O)Nc2nccs2)C1)N1CCOCC1
InChIInChI=1S/C19H31N5O3S/c1-14(2)16(23-7-9-27-10-8-23)12-21-19(26)24-6-3-4-15(13-24)17(25)22-18-20-5-11-28-18/h5,11,14-16H,3-4,6-10,12-13H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyMNNIBAVKEMVMHI-UHFFFAOYSA-N
XLogP1.86
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US11179399, Example 39
CID 163200059
(S)-6-isopropyl-2-((2-(3-methyl-4-(thiazol-2-yl)piperazin-1-yl)-2-oxoethyl)thio)pyrimidin-4(3H)-one
CID 168679277
2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)-6-propylpyrimidin-4(3H)-one
CID 168679296
6-isopropyl-2-((2-oxo-2-(4-(thiazol-2-yl)piperazin-1-yl)ethyl)thio)pyrimidin-4(3H)-one
CID 168679298
1-(2-Methyl-2-morpholin-4-ylbutyl)-3-(1,3-thiazol-2-yl)urea
CID 45820419
2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 11912304
2-morpholin-4-yl-4-[(3R)-piperidin-3-yl]imino-5-(1,3-thiazol-2-yl)-1H-pyrimidin-6-one
CID 137279346
(3R,4S)-N-cyclohexyl-3-ethyl-4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-1-carboxamide
CID 11912450
1-Cyclopentyl-5-{[4-(1,3-thiazol-2-yl)-1-piperazinyl]carbonyl}-2-piperidinone
CID 72883016
1-{[(3R*,5S*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}-4-(1,3-thiazol-2-yl)piperazine
CID 72906587
N-(2-methyl-2-morpholin-4-ylpropyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 40026214
N1-cyclopropyl-N3-(thiazol-2-yl)piperidine-1,3-dicarboxamide
CID 47307512

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide (CID 55912149) is 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is CC(C)C(CNC(=O)N1CCCC(C(=O)Nc2nccs2)C1)N1CCOCC1.
What is the InChIKey of 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
The InChIKey is MNNIBAVKEMVMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3S/c1-14(2)16(23-7-9-27-10-8-23)12-21-19(26)24-6-3-4-15(13-24)17(25)22-18-20-5-11-28-18/h5,11,14-16H,3-4,6-10,12-13H2,1-2H3,(H,21,26)(H,20,22,25).
What are the key properties of 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide?
1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide has a molecular weight of 409.56 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methyl-2-morpholin-4-ylbutyl)-3-N-(1,3-thiazol-2-yl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55912149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).