ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate

C19H30N4O3S — CID 55505863

IUPACethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCN(Cc3csc(C)n3)CC2)C1
InChIInChI=1S/C19H30N4O3S/c1-3-26-19(25)16-5-4-6-23(11-16)18(24)13-22-9-7-21(8-10-22)12-17-14-27-15(2)20-17/h14,16H,3-13H2,1-2H3
InChIKeyRJNOHWFEAYGHSR-UHFFFAOYSA-N
MW394.54 g/mol
LogP1.37
Rot. Bonds6

About ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate (PubChem CID 55505863) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
PubChem CID55505863
Molecular FormulaC19H30N4O3S
Molecular Weight394.54 g/mol
Exact Mass394.20
IUPAC Nameethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CN2CCN(Cc3csc(C)n3)CC2)C1
InChIInChI=1S/C19H30N4O3S/c1-3-26-19(25)16-5-4-6-23(11-16)18(24)13-22-9-7-21(8-10-22)12-17-14-27-15(2)20-17/h14,16H,3-13H2,1-2H3
InChIKeyRJNOHWFEAYGHSR-UHFFFAOYSA-N
XLogP1.37
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[3-(2-methyl-1,3-thiazol-4-yl)propanoyl]piperidine-3-carboxylate
CID 110678658
ethyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
CID 21202811
ethyl 1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylate
CID 43130738
ethyl (3S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxylate
CID 81339531
ethyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55506082
ethyl 1-[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate
CID 55409239
[(3S)-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95463607
ethyl (3R)-1-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]sulfonylcarbonylpiperidine-3-carboxylate
CID 40780920
ethyl (3S)-1-[2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]acetyl]piperidine-3-carboxylate
CID 42516187
ethyl 1-(4-methyl-1,3-thiazole-2-carbonyl)piperidine-3-carboxylate
CID 110696139
ethyl 1-[2-[4-(aminomethyl)triazol-1-yl]acetyl]piperidine-3-carboxylate
CID 115458921
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 55119291

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate (CID 55505863) is ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CN2CCN(Cc3csc(C)n3)CC2)C1.
What is the InChIKey of ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate?
The InChIKey is RJNOHWFEAYGHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-3-26-19(25)16-5-4-6-23(11-16)18(24)13-22-9-7-21(8-10-22)12-17-14-27-15(2)20-17/h14,16H,3-13H2,1-2H3.
What are the key properties of ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate has a molecular weight of 394.54 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 55505863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).