2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

C17H19ClN4O2 — CID 95823413

IUPAC2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN4O2/c18-13-3-5-14(6-4-13)24-17-16(20-7-8-21-17)12-2-1-9-22(11-12)15(23)10-19/h3-8,12H,1-2,9-11,19H2/t12-/m1/s1
InChIKeyDVDXJKCNJWCDOL-GFCCVEGCSA-N
MW346.82 g/mol
LogP2.59
Rot. Bonds4

About 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone

2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95823413) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95823413
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H19ClN4O2/c18-13-3-5-14(6-4-13)24-17-16(20-7-8-21-17)12-2-1-9-22(11-12)15(23)10-19/h3-8,12H,1-2,9-11,19H2/t12-/m1/s1
InChIKeyDVDXJKCNJWCDOL-GFCCVEGCSA-N
XLogP2.59
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823148
N-[4-[3-(1-butanoylpiperidin-3-yl)pyrazin-2-yl]oxyphenyl]acetamide
CID 110256263
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
1-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 95823286
2-chloro-1-[3-[3-(2-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175658243
3-chloro-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656949
3-chloro-1-[3-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 175656810
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 95823451
[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
3-methoxy-1-[3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110256428
(4-benzyloxan-4-yl)-[(3R)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129455687
1-[3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 175657135

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95823413) is 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is NCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is DVDXJKCNJWCDOL-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-13-3-5-14(6-4-13)24-17-16(20-7-8-21-17)12-2-1-9-22(11-12)15(23)10-19/h3-8,12H,1-2,9-11,19H2/t12-/m1/s1.
What are the key properties of 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 346.82 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95823413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).