3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide

C18H22N4O2 — CID 118780415

IUPAC3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
SMILESO=C(CCOc1ccccc1)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(8-13-24-16-4-2-1-3-5-16)21-15-6-11-22(12-7-15)17-14-19-9-10-20-17/h1-5,9-10,14-15H,6-8,11-13H2,(H,21,23)
InChIKeyBLJWKTKHJOECRZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.03
Rot. Bonds6

About 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide

3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide (PubChem CID 118780415) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
PubChem CID118780415
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
SMILESO=C(CCOc1ccccc1)NC1CCN(c2cnccn2)CC1
InChIInChI=1S/C18H22N4O2/c23-18(8-13-24-16-4-2-1-3-5-16)21-15-6-11-22(12-7-15)17-14-19-9-10-20-17/h1-5,9-10,14-15H,6-8,11-13H2,(H,21,23)
InChIKeyBLJWKTKHJOECRZ-UHFFFAOYSA-N
XLogP2.03
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzylsulfanyl-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118778072
3-phenoxy-N-(1-pyridin-2-ylpiperidin-3-yl)propanamide
CID 110107081
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503
N-[1-(2-aminoethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 63627698
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
(2R)-2-cyclopentyl-2-phenyl-N-(1-pyrazin-2-ylpiperidin-4-yl)acetamide
CID 125164422
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-3-phenoxypropanamide
CID 108554888
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 110820896
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
N-cyclopropyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 34188101
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The IUPAC name of 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide (CID 118780415) is 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide is O=C(CCOc1ccccc1)NC1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
The InChIKey is BLJWKTKHJOECRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(8-13-24-16-4-2-1-3-5-16)21-15-6-11-22(12-7-15)17-14-19-9-10-20-17/h1-5,9-10,14-15H,6-8,11-13H2,(H,21,23).
What are the key properties of 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide?
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide is sourced from PubChem (CID 118780415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).