4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide

C23H30N4O4 — CID 42361309

IUPAC4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)Cc3cnccn3)cc2)CC1
InChIInChI=1S/C23H30N4O4/c1-17(15-19-16-24-10-11-25-19)26-23(29)18-3-5-20(6-4-18)31-21-7-12-27(13-8-21)22(28)9-14-30-2/h3-6,10-11,16-17,21H,7-9,12-15H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyVLDQYDCVPDSKLT-QGZVFWFLSA-N
MW426.52 g/mol
LogP2.24
Rot. Bonds9

About 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide (PubChem CID 42361309) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
PubChem CID42361309
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)Cc3cnccn3)cc2)CC1
InChIInChI=1S/C23H30N4O4/c1-17(15-19-16-24-10-11-25-19)26-23(29)18-3-5-20(6-4-18)31-21-7-12-27(13-8-21)22(28)9-14-30-2/h3-6,10-11,16-17,21H,7-9,12-15H2,1-2H3,(H,26,29)/t17-/m1/s1
InChIKeyVLDQYDCVPDSKLT-QGZVFWFLSA-N
XLogP2.24
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.24
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
4-(difluoromethoxy)-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 90653962
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-pyrrolidin-3-ylbenzamide
CID 72921247
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 24817383
N-[(4R)-2,2-dimethyloxan-4-yl]-4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxybenzamide
CID 42463230
3-methoxy-1-[4-[4-(oxazinane-2-carbonyl)phenoxy]piperidin-1-yl]propan-1-one
CID 42243815
4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxy-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 45217439
1-(3-cyclopentyloxyphenyl)-3-[(2R)-1-pyrazin-2-ylpropan-2-yl]urea
CID 97453321
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-6-hydroxy-6-methylheptan-2-yl]benzamide
CID 42305765
N-(2-pyrazin-2-ylethyl)-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42521569
methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane
CID 142043170
[6-[[(2R)-1-hydroxypropan-2-yl]amino]-3-pyridinyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 95223445

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide?
The IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide (CID 42361309) is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide.
What is the SMILES notation for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide?
The canonical SMILES for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide is COCCC(=O)N1CCC(Oc2ccc(C(=O)N[C@H](C)Cc3cnccn3)cc2)CC1.
What is the InChIKey of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide?
The InChIKey is VLDQYDCVPDSKLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-17(15-19-16-24-10-11-25-19)26-23(29)18-3-5-20(6-4-18)31-21-7-12-27(13-8-21)22(28)9-14-30-2/h3-6,10-11,16-17,21H,7-9,12-15H2,1-2H3,(H,26,29)/t17-/m1/s1.
What are the key properties of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide?
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide has a molecular weight of 426.52 g/mol, XLogP of 2.24, 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-[(2R)-1-pyrazin-2-ylpropan-2-yl]benzamide is sourced from PubChem (CID 42361309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).