2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

C19H31N5O2 — CID 53189248

IUPAC2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOc1nccc(N2CCC(CC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C19H31N5O2/c1-15(2)22-10-12-24(13-11-22)18(25)14-16-5-8-23(9-6-16)17-4-7-20-19(21-17)26-3/h4,7,15-16H,5-6,8-14H2,1-3H3
InChIKeyNAGICXPWYVCLTD-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.64
Rot. Bonds5

About 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone

2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (PubChem CID 53189248) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
PubChem CID53189248
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
SMILESCOc1nccc(N2CCC(CC(=O)N3CCN(C(C)C)CC3)CC2)n1
InChIInChI=1S/C19H31N5O2/c1-15(2)22-10-12-24(13-11-22)18(25)14-16-5-8-23(9-6-16)17-4-7-20-19(21-17)26-3/h4,7,15-16H,5-6,8-14H2,1-3H3
InChIKeyNAGICXPWYVCLTD-UHFFFAOYSA-N
XLogP1.64
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone (CID 53189248) is 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is COc1nccc(N2CCC(CC(=O)N3CCN(C(C)C)CC3)CC2)n1.
What is the InChIKey of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
The InChIKey is NAGICXPWYVCLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(2)22-10-12-24(13-11-22)18(25)14-16-5-8-23(9-6-16)17-4-7-20-19(21-17)26-3/h4,7,15-16H,5-6,8-14H2,1-3H3.
What are the key properties of 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone?
2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone has a molecular weight of 361.49 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53189248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).