[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C22H30N4O2 — CID 24791256

IUPAC[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cn1
InChIInChI=1S/C22H30N4O2/c1-24-16-18(15-23-24)17-25-13-9-21(10-14-25)28-20-7-5-19(6-8-20)22(27)26-11-3-2-4-12-26/h5-8,15-16,21H,2-4,9-14,17H2,1H3
InChIKeyRRZVRAONPDCZRA-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.09
Rot. Bonds5

About [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 24791256) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID24791256
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cn1
InChIInChI=1S/C22H30N4O2/c1-24-16-18(15-23-24)17-25-13-9-21(10-14-25)28-20-7-5-19(6-8-20)22(27)26-11-3-2-4-12-26/h5-8,15-16,21H,2-4,9-14,17H2,1H3
InChIKeyRRZVRAONPDCZRA-UHFFFAOYSA-N
XLogP3.09
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 24791256) is [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is Cn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cn1.
What is the InChIKey of [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is RRZVRAONPDCZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-24-16-18(15-23-24)17-25-13-9-21(10-14-25)28-20-7-5-19(6-8-20)22(27)26-11-3-2-4-12-26/h5-8,15-16,21H,2-4,9-14,17H2,1H3.
What are the key properties of [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 382.51 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 24791256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).