tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate

C20H33N3O2S — CID 68576527

IUPACtert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate
SMILESCc1nc(C)c(CN(CC2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C20H33N3O2S/c1-14-18(26-15(2)21-14)13-23(12-16-6-7-16)17-8-10-22(11-9-17)19(24)25-20(3,4)5/h16-17H,6-13H2,1-5H3
InChIKeyCODUVXHCEJOFSA-UHFFFAOYSA-N
MW379.57 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate

tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate (PubChem CID 68576527) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate
PubChem CID68576527
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC Nametert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate
SMILESCc1nc(C)c(CN(CC2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)s1
InChIInChI=1S/C20H33N3O2S/c1-14-18(26-15(2)21-14)13-23(12-16-6-7-16)17-8-10-22(11-9-17)19(24)25-20(3,4)5/h16-17H,6-13H2,1-5H3
InChIKeyCODUVXHCEJOFSA-UHFFFAOYSA-N
XLogP4.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate (CID 68576527) is tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate is Cc1nc(C)c(CN(CC2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)s1.
What is the InChIKey of tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate?
The InChIKey is CODUVXHCEJOFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-14-18(26-15(2)21-14)13-23(12-16-6-7-16)17-8-10-22(11-9-17)19(24)25-20(3,4)5/h16-17H,6-13H2,1-5H3.
What are the key properties of tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate has a molecular weight of 379.57 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[cyclopropylmethyl-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 68576527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).