4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide

C21H28N4O4 — CID 24817383

IUPAC4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)NCCn3cccn3)cc2)CC1
InChIInChI=1S/C21H28N4O4/c1-28-16-9-20(26)24-13-7-19(8-14-24)29-18-5-3-17(4-6-18)21(27)22-11-15-25-12-2-10-23-25/h2-6,10,12,19H,7-9,11,13-16H2,1H3,(H,22,27)
InChIKeyIHVCGIXMVCCXGA-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.72
Rot. Bonds9

About 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide (PubChem CID 24817383) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
PubChem CID24817383
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)NCCn3cccn3)cc2)CC1
InChIInChI=1S/C21H28N4O4/c1-28-16-9-20(26)24-13-7-19(8-14-24)29-18-5-3-17(4-6-18)21(27)22-11-15-25-12-2-10-23-25/h2-6,10,12,19H,7-9,11,13-16H2,1H3,(H,22,27)
InChIKeyIHVCGIXMVCCXGA-UHFFFAOYSA-N
XLogP1.72
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
CID 42509021
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 25477439
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-pyrrolidin-3-ylbenzamide
CID 72921247
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
CID 42463230
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
CID 42361309
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
CID 42243815
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 70779423
ethyl [4-[[1-(3-methoxypropanoyl)piperidin-4-yl]methylcarbamoyl]phenyl] carbonate
CID 108930091

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide (CID 24817383) is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide.
What is the SMILES notation for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The canonical SMILES for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide is COCCC(=O)N1CCC(Oc2ccc(C(=O)NCCn3cccn3)cc2)CC1.
What is the InChIKey of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
The InChIKey is IHVCGIXMVCCXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-28-16-9-20(26)24-13-7-19(8-14-24)29-18-5-3-17(4-6-18)21(27)22-11-15-25-12-2-10-23-25/h2-6,10,12,19H,7-9,11,13-16H2,1H3,(H,22,27).
What are the key properties of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide?
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide is sourced from PubChem (CID 24817383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).