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

C21H28N4O2 — CID 24794346

IUPAC[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1
InChIInChI=1S/C21H28N4O2/c1-23-15-17(14-22-23)16-24-12-8-20(9-13-24)27-19-6-4-18(5-7-19)21(26)25-10-2-3-11-25/h4-7,14-15,20H,2-3,8-13,16H2,1H3
InChIKeyXQWAOWGILRKCCX-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.70
Rot. Bonds5

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

[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24794346) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID24794346
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1
InChIInChI=1S/C21H28N4O2/c1-23-15-17(14-22-23)16-24-12-8-20(9-13-24)27-19-6-4-18(5-7-19)21(26)25-10-2-3-11-25/h4-7,14-15,20H,2-3,8-13,16H2,1H3
InChIKeyXQWAOWGILRKCCX-UHFFFAOYSA-N
XLogP2.70
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.70
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]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 24794346) is [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is Cn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1.
What is the InChIKey of [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XQWAOWGILRKCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23-15-17(14-22-23)16-24-12-8-20(9-13-24)27-19-6-4-18(5-7-19)21(26)25-10-2-3-11-25/h4-7,14-15,20H,2-3,8-13,16H2,1H3.
What are the key properties of [4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 368.48 g/mol, XLogP of 2.70, 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]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24794346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).