N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide

C23H29FN4O3 — CID 86973542

IUPACN-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)cn1
InChIInChI=1S/C23H29FN4O3/c1-2-28-16-20(15-25-28)26-21(29)17-6-10-27(11-7-17)22(30)23(8-12-31-13-9-23)18-4-3-5-19(24)14-18/h3-5,14-17H,2,6-13H2,1H3,(H,26,29)
InChIKeyKNYCWBBVUXDLKU-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.97
Rot. Bonds5

About N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide

N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide (PubChem CID 86973542) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide
PubChem CID86973542
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC NameN-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide
SMILESCCn1cc(NC(=O)C2CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)cn1
InChIInChI=1S/C23H29FN4O3/c1-2-28-16-20(15-25-28)26-21(29)17-6-10-27(11-7-17)22(30)23(8-12-31-13-9-23)18-4-3-5-19(24)14-18/h3-5,14-17H,2,6-13H2,1H3,(H,26,29)
InChIKeyKNYCWBBVUXDLKU-UHFFFAOYSA-N
XLogP2.97
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(3-bromophenyl)cyclopropanecarbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882210
[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 46957535
N-(5-chloro-2-pyridinyl)-1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-4-carboxamide
CID 55993190
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 119662597
1-[4-(2,4-difluorophenoxy)butanoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86882164
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3-fluorophenyl)oxan-4-yl]methanone;hydrochloride
CID 120818399
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide
CID 86949523
[4-(3-fluorophenyl)oxan-4-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396200
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
[1-(3-fluorophenyl)cyclobutyl]-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 71929508
[1-(3-fluorophenyl)cyclobutyl]-[(3R)-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97077217

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide (CID 86973542) is N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide is CCn1cc(NC(=O)C2CCN(C(=O)C3(c4cccc(F)c4)CCOCC3)CC2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is KNYCWBBVUXDLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-2-28-16-20(15-25-28)26-21(29)17-6-10-27(11-7-17)22(30)23(8-12-31-13-9-23)18-4-3-5-19(24)14-18/h3-5,14-17H,2,6-13H2,1H3,(H,26,29).
What are the key properties of N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide?
N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-1-[4-(3-fluorophenyl)oxane-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 86973542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).