3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide

C18H23N5O2 — CID 126433211

IUPAC3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
SMILESNCCOc1cccc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C18H23N5O2/c19-6-10-25-16-5-1-3-14(11-16)18(24)22-15-4-2-9-23(13-15)17-12-20-7-8-21-17/h1,3,5,7-8,11-12,15H,2,4,6,9-10,13,19H2,(H,22,24)/t15-/m0/s1
InChIKeyCLYYCHRJKOEGRK-HNNXBMFYSA-N
MW341.42 g/mol
LogP1.21
Rot. Bonds6

About 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide

3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide (PubChem CID 126433211) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
PubChem CID126433211
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
SMILESNCCOc1cccc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c1
InChIInChI=1S/C18H23N5O2/c19-6-10-25-16-5-1-3-14(11-16)18(24)22-15-4-2-9-23(13-15)17-12-20-7-8-21-17/h1,3,5,7-8,11-12,15H,2,4,6,9-10,13,19H2,(H,22,24)/t15-/m0/s1
InChIKeyCLYYCHRJKOEGRK-HNNXBMFYSA-N
XLogP1.21
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-5-[[(3S)-1-pyrazin-2-ylpiperidin-3-yl]carbamoyl]benzoic acid
CID 126430008
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 99990589
4-(6-aminopyrimidin-4-yl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126448073
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
3-(4-methoxyphenyl)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 126442521
N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]-2-pyrimidin-2-ylsulfanylacetamide
CID 99971826
4-[(5-methyltetrazol-1-yl)methyl]-N-(1-pyrazin-2-ylpiperidin-3-yl)benzamide
CID 119062377
2,6-dimethoxy-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]pyridine-3-carboxamide
CID 99976530
3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 90648731
5-(2-methylpropyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)-1,2-oxazole-3-carboxamide
CID 91838367
2-(1-methylimidazol-2-yl)-N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]benzamide
CID 126449447
N-[1-(6-chloroquinoxalin-2-yl)piperidin-3-yl]pyridine-3-carboxamide
CID 175651012

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The IUPAC name of 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide (CID 126433211) is 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide.
What is the SMILES notation for 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The canonical SMILES for 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide is NCCOc1cccc(C(=O)N[C@H]2CCCN(c3cnccn3)C2)c1.
What is the InChIKey of 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
The InChIKey is CLYYCHRJKOEGRK-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H23N5O2/c19-6-10-25-16-5-1-3-14(11-16)18(24)22-15-4-2-9-23(13-15)17-12-20-7-8-21-17/h1,3,5,7-8,11-12,15H,2,4,6,9-10,13,19H2,(H,22,24)/t15-/m0/s1.
What are the key properties of 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide?
3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide has a molecular weight of 341.42 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethoxy)-N-[(3S)-1-pyrazin-2-ylpiperidin-3-yl]benzamide is sourced from PubChem (CID 126433211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).