[4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C23H32N4O2 — CID 24817567

IUPAC[4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCCn1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C
InChIInChI=1S/C23H32N4O2/c1-3-27-18(2)20(16-24-27)17-25-14-10-22(11-15-25)29-21-8-6-19(7-9-21)23(28)26-12-4-5-13-26/h6-9,16,22H,3-5,10-15,17H2,1-2H3
InChIKeyKQTUNAKZPKRNGP-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.49
Rot. Bonds6

About [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24817567) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID24817567
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name[4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCCn1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C
InChIInChI=1S/C23H32N4O2/c1-3-27-18(2)20(16-24-27)17-25-14-10-22(11-15-25)29-21-8-6-19(7-9-21)23(28)26-12-4-5-13-26/h6-9,16,22H,3-5,10-15,17H2,1-2H3
InChIKeyKQTUNAKZPKRNGP-UHFFFAOYSA-N
XLogP3.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Isopropoxyphenyl)(1-((5-methyl-1-propyl-1H-pyrazol-4-yl)methyl)piperidin-3-yl)methanone
CID 16190867
N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-3-[(4-ethylphenoxy)methyl]benzohydrazide
CID 5433770
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
1-Benzyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884917
US10138229, Example 29
CID 89968957
4-({1-[(dimethylamino)sulfonyl]-4-piperidinyl}oxy)-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 16187695
4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 16191083
(1-((1-Ethyl-5-methyl-1H-pyrazol-4-yl)methyl)piperidin-3-yl)(3-isopropoxyphenyl)methanone
CID 16191661
N-[(1-methylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790505
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24791409
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-pyrrolidinylcarbonyl)phenoxy]piperidine
CID 24791615

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 24817567) is [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is CCn1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C.
What is the InChIKey of [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is KQTUNAKZPKRNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-3-27-18(2)20(16-24-27)17-25-14-10-22(11-15-25)29-21-8-6-19(7-9-21)23(28)26-12-4-5-13-26/h6-9,16,22H,3-5,10-15,17H2,1-2H3.
What are the key properties of [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 396.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24817567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).