tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

C19H30N4O4S — CID 55503858

IUPACtert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)Nc2nc(CN3CCOCC3)cs2)C1
InChIInChI=1S/C19H30N4O4S/c1-19(2,3)27-18(25)23-6-4-5-14(11-23)16(24)21-17-20-15(13-28-17)12-22-7-9-26-10-8-22/h13-14H,4-12H2,1-3H3,(H,20,21,24)
InChIKeyBVKTVZJHDMWQME-UHFFFAOYSA-N
MW410.54 g/mol
LogP2.56
Rot. Bonds4

About tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate

tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate (PubChem CID 55503858) has the molecular formula C19H30N4O4S and a molecular weight of 410.54 g/mol. Its IUPAC name is tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
PubChem CID55503858
Molecular FormulaC19H30N4O4S
Molecular Weight410.54 g/mol
Exact Mass410.20
IUPAC Nametert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(=O)Nc2nc(CN3CCOCC3)cs2)C1
InChIInChI=1S/C19H30N4O4S/c1-19(2,3)27-18(25)23-6-4-5-14(11-23)16(24)21-17-20-15(13-28-17)12-22-7-9-26-10-8-22/h13-14H,4-12H2,1-3H3,(H,20,21,24)
InChIKeyBVKTVZJHDMWQME-UHFFFAOYSA-N
XLogP2.56
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl 3-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 47016276
1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 55757623
tert-butyl 3-[[5-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 118980447
tert-butyl 3-[(4-thiophen-2-yl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 55467468
tert-butyl (3R)-3-(1,3-thiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 41113080
(3S)-1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 26009478
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
tert-butyl 3-[[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 55468277
ethyl 3-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]piperidine-1-carboxylate
CID 86922889
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
1-(2-methylpropanoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 33210791

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate (CID 55503858) is tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2nc(CN3CCOCC3)cs2)C1.
What is the InChIKey of tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is BVKTVZJHDMWQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O4S/c1-19(2,3)27-18(25)23-6-4-5-14(11-23)16(24)21-17-20-15(13-28-17)12-22-7-9-26-10-8-22/h13-14H,4-12H2,1-3H3,(H,20,21,24).
What are the key properties of tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate?
tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 410.54 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 55503858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).