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

C23H32N4O2 — CID 24791093

IUPACN-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCCOc1cccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C23H32N4O2/c1-2-29-21-9-5-6-18(16-21)17-26-14-11-20(12-15-26)27-22(10-13-24-27)25-23(28)19-7-3-4-8-19/h5-6,9-10,13,16,19-20H,2-4,7-8,11-12,14-15,17H2,1H3,(H,25,28)
InChIKeyDAELTBUSUTZCIW-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.25
Rot. Bonds7

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

N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24791093) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24791093
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCCOc1cccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1
InChIInChI=1S/C23H32N4O2/c1-2-29-21-9-5-6-18(16-21)17-26-14-11-20(12-15-26)27-22(10-13-24-27)25-23(28)19-7-3-4-8-19/h5-6,9-10,13,16,19-20H,2-4,7-8,11-12,14-15,17H2,1H3,(H,25,28)
InChIKeyDAELTBUSUTZCIW-UHFFFAOYSA-N
XLogP4.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24791093) is N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CCOc1cccc(CN2CCC(n3nccc3NC(=O)C3CCCC3)CC2)c1.
What is the InChIKey of N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is DAELTBUSUTZCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-2-29-21-9-5-6-18(16-21)17-26-14-11-20(12-15-26)27-22(10-13-24-27)25-23(28)19-7-3-4-8-19/h5-6,9-10,13,16,19-20H,2-4,7-8,11-12,14-15,17H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24791093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).