N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide

C22H27FN4O2 — CID 24732587

IUPACN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
SMILESCOc1ccnc(N2CCC(N(CC3CC3)C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H27FN4O2/c1-29-20-8-11-24-22(25-20)26-12-9-19(10-13-26)27(15-17-2-3-17)21(28)14-16-4-6-18(23)7-5-16/h4-8,11,17,19H,2-3,9-10,12-15H2,1H3
InChIKeyDBDGAOMADXCGKW-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.07
Rot. Bonds7

About N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide

N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide (PubChem CID 24732587) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
PubChem CID24732587
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide
SMILESCOc1ccnc(N2CCC(N(CC3CC3)C(=O)Cc3ccc(F)cc3)CC2)n1
InChIInChI=1S/C22H27FN4O2/c1-29-20-8-11-24-22(25-20)26-12-9-19(10-13-26)27(15-17-2-3-17)21(28)14-16-4-6-18(23)7-5-16/h4-8,11,17,19H,2-3,9-10,12-15H2,1H3
InChIKeyDBDGAOMADXCGKW-UHFFFAOYSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide (CID 24732587) is N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide is COc1ccnc(N2CCC(N(CC3CC3)C(=O)Cc3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide?
The InChIKey is DBDGAOMADXCGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-29-20-8-11-24-22(25-20)26-12-9-19(10-13-26)27(15-17-2-3-17)21(28)14-16-4-6-18(23)7-5-16/h4-8,11,17,19H,2-3,9-10,12-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide?
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide has a molecular weight of 398.48 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 24732587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).