3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C19H22ClN3O3 — CID 175656810

IUPAC3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCOc1cccc(Oc2nccnc2C2CCCN(C(=O)CCCl)C2)c1
InChIInChI=1S/C19H22ClN3O3/c1-25-15-5-2-6-16(12-15)26-19-18(21-9-10-22-19)14-4-3-11-23(13-14)17(24)7-8-20/h2,5-6,9-10,12,14H,3-4,7-8,11,13H2,1H3
InChIKeyILGCJAKCJLKXKF-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.61
Rot. Bonds6

About 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one

3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 175656810) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID175656810
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCOc1cccc(Oc2nccnc2C2CCCN(C(=O)CCCl)C2)c1
InChIInChI=1S/C19H22ClN3O3/c1-25-15-5-2-6-16(12-15)26-19-18(21-9-10-22-19)14-4-3-11-23(13-14)17(24)7-8-20/h2,5-6,9-10,12,14H,3-4,7-8,11,13H2,1H3
InChIKeyILGCJAKCJLKXKF-UHFFFAOYSA-N
XLogP3.61
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656949
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823289
1-[(3R)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822132
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 95822131
3-methoxy-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256428
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide
CID 110256263
3-chloro-1-[3-[2-(dimethylamino)-5-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 175658170
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
2-methyl-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 175656534
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 175656810) is 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is COc1cccc(Oc2nccnc2C2CCCN(C(=O)CCCl)C2)c1.
What is the InChIKey of 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is ILGCJAKCJLKXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-25-15-5-2-6-16(12-15)26-19-18(21-9-10-22-19)14-4-3-11-23(13-14)17(24)7-8-20/h2,5-6,9-10,12,14H,3-4,7-8,11,13H2,1H3.
What are the key properties of 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 375.86 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 175656810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).