N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C24H30N4O2 — CID 24819211

IUPACN-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)o1
InChIInChI=1S/C24H30N4O2/c1-19-10-11-22(30-19)18-27-16-13-21(14-17-27)28-23(12-15-25-28)26-24(29)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,21H,5,8-9,13-14,16-18H2,1H3,(H,26,29)
InChIKeyMIAFTFNPJDOMBU-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.58
Rot. Bonds8

About N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24819211) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24819211
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)o1
InChIInChI=1S/C24H30N4O2/c1-19-10-11-22(30-19)18-27-16-13-21(14-17-27)28-23(12-15-25-28)26-24(29)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,21H,5,8-9,13-14,16-18H2,1H3,(H,26,29)
InChIKeyMIAFTFNPJDOMBU-UHFFFAOYSA-N
XLogP4.58
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24819211) is N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is Cc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)o1.
What is the InChIKey of N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is MIAFTFNPJDOMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-19-10-11-22(30-19)18-27-16-13-21(14-17-27)28-23(12-15-25-28)26-24(29)9-5-8-20-6-3-2-4-7-20/h2-4,6-7,10-12,15,21H,5,8-9,13-14,16-18H2,1H3,(H,26,29).
What are the key properties of N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 406.53 g/mol, XLogP of 4.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24819211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).