[4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

C24H34N4O2 — CID 24791615

IUPAC[4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCCCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)n1
InChIInChI=1S/C24H34N4O2/c1-3-12-28-18-21(19(2)25-28)17-26-15-10-23(11-16-26)30-22-8-6-20(7-9-22)24(29)27-13-4-5-14-27/h6-9,18,23H,3-5,10-17H2,1-2H3
InChIKeyXMYPAZHFDXHTBW-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.88
Rot. Bonds7

About [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone

[4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (PubChem CID 24791615) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
PubChem CID24791615
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name[4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
SMILESCCCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)n1
InChIInChI=1S/C24H34N4O2/c1-3-12-28-18-21(19(2)25-28)17-26-15-10-23(11-16-26)30-22-8-6-20(7-9-22)24(29)27-13-4-5-14-27/h6-9,18,23H,3-5,10-17H2,1-2H3
InChIKeyXMYPAZHFDXHTBW-UHFFFAOYSA-N
XLogP3.88
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.88
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
N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(1-isopropyl-4-piperidinyl)oxy]-4-methoxybenzamide
CID 24793427

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone (CID 24791615) is [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is CCCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)n1.
What is the InChIKey of [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is XMYPAZHFDXHTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-3-12-28-18-21(19(2)25-28)17-26-15-10-23(11-16-26)30-22-8-6-20(7-9-22)24(29)27-13-4-5-14-27/h6-9,18,23H,3-5,10-17H2,1-2H3.
What are the key properties of [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone?
[4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 410.56 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 24791615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).