N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

C23H30N4O — CID 24819002

IUPACN-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C23H30N4O/c28-23(20-10-4-5-11-20)25-22-12-15-24-27(22)21-13-17-26(18-14-21)16-6-9-19-7-2-1-3-8-19/h1-3,6-9,12,15,20-21H,4-5,10-11,13-14,16-18H2,(H,25,28)/b9-6+
InChIKeyRFXGUCPYLNUIIY-RMKNXTFCSA-N
MW378.52 g/mol
LogP4.36
Rot. Bonds6

About N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24819002) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24819002
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC NameN-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESO=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)C1CCCC1
InChIInChI=1S/C23H30N4O/c28-23(20-10-4-5-11-20)25-22-12-15-24-27(22)21-13-17-26(18-14-21)16-6-9-19-7-2-1-3-8-19/h1-3,6-9,12,15,20-21H,4-5,10-11,13-14,16-18H2,(H,25,28)/b9-6+
InChIKeyRFXGUCPYLNUIIY-RMKNXTFCSA-N
XLogP4.36
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24819002) is N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is O=C(Nc1ccnn1C1CCN(C/C=C/c2ccccc2)CC1)C1CCCC1.
What is the InChIKey of N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is RFXGUCPYLNUIIY-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23(20-10-4-5-11-20)25-22-12-15-24-27(22)21-13-17-26(18-14-21)16-6-9-19-7-2-1-3-8-19/h1-3,6-9,12,15,20-21H,4-5,10-11,13-14,16-18H2,(H,25,28)/b9-6+.
What are the key properties of N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24819002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).