N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide

C14H19FN4O — CID 165431964

IUPACN-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2ccncn2)CC1)C1CC1
InChIInChI=1S/C14H19FN4O/c15-14(9-17-13(20)11-1-2-11)4-7-19(8-5-14)12-3-6-16-10-18-12/h3,6,10-11H,1-2,4-5,7-9H2,(H,17,20)
InChIKeyNPQIPFJBSZRTAC-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.31
Rot. Bonds4

About N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide

N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide (PubChem CID 165431964) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
PubChem CID165431964
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide
SMILESO=C(NCC1(F)CCN(c2ccncn2)CC1)C1CC1
InChIInChI=1S/C14H19FN4O/c15-14(9-17-13(20)11-1-2-11)4-7-19(8-5-14)12-3-6-16-10-18-12/h3,6,10-11H,1-2,4-5,7-9H2,(H,17,20)
InChIKeyNPQIPFJBSZRTAC-UHFFFAOYSA-N
XLogP1.31
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide (CID 165431964) is N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide is O=C(NCC1(F)CCN(c2ccncn2)CC1)C1CC1.
What is the InChIKey of N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide?
The InChIKey is NPQIPFJBSZRTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c15-14(9-17-13(20)11-1-2-11)4-7-19(8-5-14)12-3-6-16-10-18-12/h3,6,10-11H,1-2,4-5,7-9H2,(H,17,20).
What are the key properties of N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide?
N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-pyrimidin-4-ylpiperidin-4-yl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165431964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).