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

C19H22ClN3O2 — CID 175656949

IUPAC3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(Oc2nccnc2C2CCCN(C(=O)CCCl)C2)c1
InChIInChI=1S/C19H22ClN3O2/c1-14-4-2-6-16(12-14)25-19-18(21-9-10-22-19)15-5-3-11-23(13-15)17(24)7-8-20/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3
InChIKeyFZOGMGHJKSKUQR-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.91
Rot. Bonds5

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

3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 175656949) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID175656949
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCc1cccc(Oc2nccnc2C2CCCN(C(=O)CCCl)C2)c1
InChIInChI=1S/C19H22ClN3O2/c1-14-4-2-6-16(12-14)25-19-18(21-9-10-22-19)15-5-3-11-23(13-15)17(24)7-8-20/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3
InChIKeyFZOGMGHJKSKUQR-UHFFFAOYSA-N
XLogP3.91
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656810
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
2-methyl-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]prop-2-en-1-one
CID 175656534
[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 95822457
[3-[(2-methylimidazol-1-yl)methyl]phenyl]-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 129453360
[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 129453578
2-methoxy-1-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95822508
[3-(imidazol-1-ylmethyl)phenyl]-[(3R)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 125015528
[3-(imidazol-1-ylmethyl)phenyl]-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110150633
1-[(3S)-3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823289
N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide
CID 110256263

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 175656949) is 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is Cc1cccc(Oc2nccnc2C2CCCN(C(=O)CCCl)C2)c1.
What is the InChIKey of 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is FZOGMGHJKSKUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-14-4-2-6-16(12-14)25-19-18(21-9-10-22-19)15-5-3-11-23(13-15)17(24)7-8-20/h2,4,6,9-10,12,15H,3,5,7-8,11,13H2,1H3.
What are the key properties of 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 359.86 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 175656949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).