[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C23H32N4O2 — CID 24819295

IUPAC[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)n1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1
InChIInChI=1S/C23H32N4O2/c1-18(2)27-17-19(15-24-27)16-25-13-9-22(10-14-25)29-21-7-5-20(6-8-21)23(28)26-11-3-4-12-26/h5-8,15,17-18,22H,3-4,9-14,16H2,1-2H3
InChIKeyAKRSIHCQCBPULV-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.74
Rot. Bonds6

About [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24819295) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID24819295
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCC(C)n1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1
InChIInChI=1S/C23H32N4O2/c1-18(2)27-17-19(15-24-27)16-25-13-9-22(10-14-25)29-21-7-5-20(6-8-21)23(28)26-11-3-4-12-26/h5-8,15,17-18,22H,3-4,9-14,16H2,1-2H3
InChIKeyAKRSIHCQCBPULV-UHFFFAOYSA-N
XLogP3.74
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 24819295) is [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is CC(C)n1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)cn1.
What is the InChIKey of [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is AKRSIHCQCBPULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-18(2)27-17-19(15-24-27)16-25-13-9-22(10-14-25)29-21-7-5-20(6-8-21)23(28)26-11-3-4-12-26/h5-8,15,17-18,22H,3-4,9-14,16H2,1-2H3.
What are the key properties of [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 396.54 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24819295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).