N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide

C19H27FN4O2 — CID 166600684

IUPACN-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2cc(C3CCC3)ncn2)CC1)C1CCOC1
InChIInChI=1S/C19H27FN4O2/c20-19(12-21-18(25)15-4-9-26-11-15)5-7-24(8-6-19)17-10-16(22-13-23-17)14-2-1-3-14/h10,13-15H,1-9,11-12H2,(H,21,25)
InChIKeyJISCNEXFJVBACO-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.21
Rot. Bonds5

About N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 166600684) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID166600684
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC NameN-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(F)CCN(c2cc(C3CCC3)ncn2)CC1)C1CCOC1
InChIInChI=1S/C19H27FN4O2/c20-19(12-21-18(25)15-4-9-26-11-15)5-7-24(8-6-19)17-10-16(22-13-23-17)14-2-1-3-14/h10,13-15H,1-9,11-12H2,(H,21,25)
InChIKeyJISCNEXFJVBACO-UHFFFAOYSA-N
XLogP2.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide (CID 166600684) is N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide is O=C(NCC1(F)CCN(c2cc(C3CCC3)ncn2)CC1)C1CCOC1.
What is the InChIKey of N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is JISCNEXFJVBACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c20-19(12-21-18(25)15-4-9-26-11-15)5-7-24(8-6-19)17-10-16(22-13-23-17)14-2-1-3-14/h10,13-15H,1-9,11-12H2,(H,21,25).
What are the key properties of N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 166600684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).