N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide

C18H26FN3O2S — CID 166600919

IUPACN-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(Cc2csc(C3CC3)n2)CC1)C1CCOC1
InChIInChI=1S/C18H26FN3O2S/c19-18(12-20-16(23)14-3-8-24-10-14)4-6-22(7-5-18)9-15-11-25-17(21-15)13-1-2-13/h11,13-14H,1-10,12H2,(H,20,23)
InChIKeyKUAWNJWQXWKKEO-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.48
Rot. Bonds6

About N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 166600919) has the molecular formula C18H26FN3O2S and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID166600919
Molecular FormulaC18H26FN3O2S
Molecular Weight367.49 g/mol
Exact Mass367.17
IUPAC NameN-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(Cc2csc(C3CC3)n2)CC1)C1CCOC1
InChIInChI=1S/C18H26FN3O2S/c19-18(12-20-16(23)14-3-8-24-10-14)4-6-22(7-5-18)9-15-11-25-17(21-15)13-1-2-13/h11,13-14H,1-10,12H2,(H,20,23)
InChIKeyKUAWNJWQXWKKEO-UHFFFAOYSA-N
XLogP2.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide (CID 166600919) is N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide is O=C(NCC1(F)CCN(Cc2csc(C3CC3)n2)CC1)C1CCOC1.
What is the InChIKey of N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is KUAWNJWQXWKKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2S/c19-18(12-20-16(23)14-3-8-24-10-14)4-6-22(7-5-18)9-15-11-25-17(21-15)13-1-2-13/h11,13-14H,1-10,12H2,(H,20,23).
What are the key properties of N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 166600919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).