N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

C20H33N3O2S — CID 75515208

IUPACN-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCC1(CC)C(NC(=O)C2CCN(c3nc(C)cs3)CC2)C(C)C1OC
InChIInChI=1S/C20H33N3O2S/c1-6-20(7-2)16(14(4)17(20)25-5)22-18(24)15-8-10-23(11-9-15)19-21-13(3)12-26-19/h12,14-17H,6-11H2,1-5H3,(H,22,24)
InChIKeyLSIWAIMDLIVHNO-UHFFFAOYSA-N
MW379.57 g/mol
LogP3.62
Rot. Bonds6

About N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide

N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 75515208) has the molecular formula C20H33N3O2S and a molecular weight of 379.57 g/mol. Its IUPAC name is N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID75515208
Molecular FormulaC20H33N3O2S
Molecular Weight379.57 g/mol
Exact Mass379.23
IUPAC NameN-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESCCC1(CC)C(NC(=O)C2CCN(c3nc(C)cs3)CC2)C(C)C1OC
InChIInChI=1S/C20H33N3O2S/c1-6-20(7-2)16(14(4)17(20)25-5)22-18(24)15-8-10-23(11-9-15)19-21-13(3)12-26-19/h12,14-17H,6-11H2,1-5H3,(H,22,24)
InChIKeyLSIWAIMDLIVHNO-UHFFFAOYSA-N
XLogP3.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 75515208) is N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is CCC1(CC)C(NC(=O)C2CCN(c3nc(C)cs3)CC2)C(C)C1OC.
What is the InChIKey of N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is LSIWAIMDLIVHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2S/c1-6-20(7-2)16(14(4)17(20)25-5)22-18(24)15-8-10-23(11-9-15)19-21-13(3)12-26-19/h12,14-17H,6-11H2,1-5H3,(H,22,24).
What are the key properties of N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide?
N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 379.57 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3-methoxy-4-methylcyclobutyl)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 75515208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).