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

C23H32N4O2 — CID 24791329

IUPACN-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCCOc1ccccc1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H32N4O2/c1-2-29-21-10-6-5-9-19(21)17-26-15-12-20(13-16-26)27-22(11-14-24-27)25-23(28)18-7-3-4-8-18/h5-6,9-11,14,18,20H,2-4,7-8,12-13,15-17H2,1H3,(H,25,28)
InChIKeyBIIFZGWIVRBNTQ-UHFFFAOYSA-N
MW396.54 g/mol
LogP4.25
Rot. Bonds7

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

N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 24791329) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID24791329
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESCCOc1ccccc1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C23H32N4O2/c1-2-29-21-10-6-5-9-19(21)17-26-15-12-20(13-16-26)27-22(11-14-24-27)25-23(28)18-7-3-4-8-18/h5-6,9-11,14,18,20H,2-4,7-8,12-13,15-17H2,1H3,(H,25,28)
InChIKeyBIIFZGWIVRBNTQ-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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Related Compounds

N-{1-[1-(3-furoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790587
US10246466, Example 75
CID 124166799
N-(1-{1-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-phenoxypropanamide
CID 24791744
N-(1-benzylpyrazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 6461757
3-{3,5-Dimethyl-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-[(2-ethoxyphenyl)methyl]propanamide
CID 16026893
N-{1-[1-(2-hydroxy-3-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24790063
N-{1-[1-(2-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790124
N-{1-[1-(3-cyclopentylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxybenzamide
CID 24790322
2-methoxy-N-(1-{1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24790583
N-{1-[1-(2-fluoro-5-methoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790783
N-{1-[1-(3,4-dimethylbenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-3-phenoxypropanamide
CID 24791072
N-[2-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24791091

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 24791329) is N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is CCOc1ccccc1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is BIIFZGWIVRBNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-2-29-21-10-6-5-9-19(21)17-26-15-12-20(13-16-26)27-22(11-14-24-27)25-23(28)18-7-3-4-8-18/h5-6,9-11,14,18,20H,2-4,7-8,12-13,15-17H2,1H3,(H,25,28).
What are the key properties of N-[2-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(2-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-[(2-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 24791329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).