ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate

C17H26N4O3S — CID 5091991

IUPACethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2csc(C3CCNCC3)n2)CC1
InChIInChI=1S/C17H26N4O3S/c1-2-24-17(23)21-9-5-13(6-10-21)19-15(22)14-11-25-16(20-14)12-3-7-18-8-4-12/h11-13,18H,2-10H2,1H3,(H,19,22)
InChIKeyVHOXGAISMUWZRY-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.96
Rot. Bonds4

About ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 5091991) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
PubChem CID5091991
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Nameethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2csc(C3CCNCC3)n2)CC1
InChIInChI=1S/C17H26N4O3S/c1-2-24-17(23)21-9-5-13(6-10-21)19-15(22)14-11-25-16(20-14)12-3-7-18-8-4-12/h11-13,18H,2-10H2,1H3,(H,19,22)
InChIKeyVHOXGAISMUWZRY-UHFFFAOYSA-N
XLogP1.96
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
CID 18969415
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
ethyl 4-[(2-methylimidazo[2,1-b][1,3,4]thiadiazole-6-carbonyl)amino]piperidine-1-carboxylate
CID 110853943
ethyl 4-(imidazo[2,1-b][1,3,4]thiadiazole-6-carbonylamino)piperidine-1-carboxylate
CID 110853942
ethyl 4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]piperidine-1-carboxylate
CID 31339684
ethyl 4-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 3731955
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
CID 24699538
ethyl 4-[(2-pyrrolidin-3-ylbenzoyl)amino]piperidine-1-carboxylate
CID 56893622
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
prop-2-ynyl 4-[4-[2-(cyclopropylcarbamothioylsulfanyl)ethylcarbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 3293058
ethyl 3-[2-[2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carbonyl]hydrazinyl]-3-oxopropanoate
CID 3687362

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate (CID 5091991) is ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2csc(C3CCNCC3)n2)CC1.
What is the InChIKey of ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is VHOXGAISMUWZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-2-24-17(23)21-9-5-13(6-10-21)19-15(22)14-11-25-16(20-14)12-3-7-18-8-4-12/h11-13,18H,2-10H2,1H3,(H,19,22).
What are the key properties of ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 366.49 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 5091991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).