N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C25H36N4O — CID 24791278

IUPACN-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H36N4O/c1-19(2)17-20-7-9-21(10-8-20)18-28-15-12-23(13-16-28)29-24(11-14-26-29)27-25(30)22-5-3-4-6-22/h7-11,14,19,22-23H,3-6,12-13,15-18H2,1-2H3,(H,27,30)
InChIKeyOWXLTPJSOPFIDL-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.05
Rot. Bonds7

About N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24791278) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24791278
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC NameN-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCC(C)Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H36N4O/c1-19(2)17-20-7-9-21(10-8-20)18-28-15-12-23(13-16-28)29-24(11-14-26-29)27-25(30)22-5-3-4-6-22/h7-11,14,19,22-23H,3-6,12-13,15-18H2,1-2H3,(H,27,30)
InChIKeyOWXLTPJSOPFIDL-UHFFFAOYSA-N
XLogP5.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24791278) is N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CC(C)Cc1ccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is OWXLTPJSOPFIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-19(2)17-20-7-9-21(10-8-20)18-28-15-12-23(13-16-28)29-24(11-14-26-29)27-25(30)22-5-3-4-6-22/h7-11,14,19,22-23H,3-6,12-13,15-18H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 408.59 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24791278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).