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

C24H34N4O2 — CID 24793072

IUPACpiperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone
SMILESCC(C)n1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cn1
InChIInChI=1S/C24H34N4O2/c1-19(2)28-18-20(16-25-28)17-26-14-10-23(11-15-26)30-22-8-6-21(7-9-22)24(29)27-12-4-3-5-13-27/h6-9,16,18-19,23H,3-5,10-15,17H2,1-2H3
InChIKeyKAHUCGWTDNGXQT-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.13
Rot. Bonds6

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

piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone (PubChem CID 24793072) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone.

Molecular Properties

Compound Namepiperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone
PubChem CID24793072
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Namepiperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone
SMILESCC(C)n1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cn1
InChIInChI=1S/C24H34N4O2/c1-19(2)28-18-20(16-25-28)17-26-14-10-23(11-15-26)30-22-8-6-21(7-9-22)24(29)27-12-4-3-5-13-27/h6-9,16,18-19,23H,3-5,10-15,17H2,1-2H3
InChIKeyKAHUCGWTDNGXQT-UHFFFAOYSA-N
XLogP4.13
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone?
The IUPAC name of piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone (CID 24793072) is piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone.
What is the SMILES notation for piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone?
The canonical SMILES for piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone is CC(C)n1cc(CN2CCC(Oc3ccc(C(=O)N4CCCCC4)cc3)CC2)cn1.
What is the InChIKey of piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone?
The InChIKey is KAHUCGWTDNGXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-19(2)28-18-20(16-25-28)17-26-14-10-23(11-15-26)30-22-8-6-21(7-9-22)24(29)27-12-4-3-5-13-27/h6-9,16,18-19,23H,3-5,10-15,17H2,1-2H3.
What are the key properties of piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone?
piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone has a molecular weight of 410.56 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-[1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]methanone is sourced from PubChem (CID 24793072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).