N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

C18H25FN4O — CID 165432162

IUPACN-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2cc(C3CCC3)ncn2)CC1)C1CC1
InChIInChI=1S/C18H25FN4O/c19-18(11-20-17(24)14-4-5-14)6-8-23(9-7-18)16-10-15(21-12-22-16)13-2-1-3-13/h10,12-14H,1-9,11H2,(H,20,24)
InChIKeyQIVKXAMTUAWOIS-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.58
Rot. Bonds5

About N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165432162) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165432162
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC NameN-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2cc(C3CCC3)ncn2)CC1)C1CC1
InChIInChI=1S/C18H25FN4O/c19-18(11-20-17(24)14-4-5-14)6-8-23(9-7-18)16-10-15(21-12-22-16)13-2-1-3-13/h10,12-14H,1-9,11H2,(H,20,24)
InChIKeyQIVKXAMTUAWOIS-UHFFFAOYSA-N
XLogP2.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
CID 165431964
N-[[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 165431973
N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432562
N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 122327457
N-[[4-fluoro-1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432135
4-cyclobutyl-6-[4-(difluoromethyl)piperidin-1-yl]pyrimidine
CID 166602994
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163358108
N-[[4-fluoro-1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165433363
N-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335566
4-cyclobutyl-6-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]pyrimidine
CID 146074366
[1-(6-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-pyrrolidin-1-ylmethanone
CID 165434882
N-[[4-fluoro-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methyl]cyclopropanecarboxamide
CID 165432028

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165432162) is N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCC1(F)CCN(c2cc(C3CCC3)ncn2)CC1)C1CC1.
What is the InChIKey of N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is QIVKXAMTUAWOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c19-18(11-20-17(24)14-4-5-14)6-8-23(9-7-18)16-10-15(21-12-22-16)13-2-1-3-13/h10,12-14H,1-9,11H2,(H,20,24).
What are the key properties of N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 332.42 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-cyclobutylpyrimidin-4-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165432162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).