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

C24H32N4O2 — CID 26404364

IUPACN-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESC=CCOc1ccccc1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-17-30-22-10-6-5-9-20(22)18-27-15-12-21(13-16-27)28-23(11-14-25-28)26-24(29)19-7-3-4-8-19/h2,5-6,9-11,14,19,21H,1,3-4,7-8,12-13,15-18H2,(H,26,29)
InChIKeyFCZRDLSWMXSTQF-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.41
Rot. Bonds8

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

N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 26404364) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
PubChem CID26404364
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
SMILESC=CCOc1ccccc1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-17-30-22-10-6-5-9-20(22)18-27-15-12-21(13-16-27)28-23(11-14-25-28)26-24(29)19-7-3-4-8-19/h2,5-6,9-11,14,19,21H,1,3-4,7-8,12-13,15-18H2,(H,26,29)
InChIKeyFCZRDLSWMXSTQF-UHFFFAOYSA-N
XLogP4.41
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56701108
N-[2-[1-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 56742072
N-[2-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 56746743
N-[2-[1-(2,3-dihydroxypropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24818917
N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24816873
N-[2-[1-(1-benzothiophen-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 26334914
N-[2-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 24819134
(3R)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42288539
N-[2-[1-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 42216536
2-methoxy-N-[2-[1-(quinolin-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 29258956
N-[2-[1-(1-methoxypropan-2-yl)piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide
CID 45250863
N-[2-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24790063

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide (CID 26404364) is N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is C=CCOc1ccccc1CN1CCC(n2nccc2NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is FCZRDLSWMXSTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-17-30-22-10-6-5-9-20(22)18-27-15-12-21(13-16-27)28-23(11-14-25-28)26-24(29)19-7-3-4-8-19/h2,5-6,9-11,14,19,21H,1,3-4,7-8,12-13,15-18H2,(H,26,29).
What are the key properties of N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 26404364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).