[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

C23H30N4O2 — CID 95823451

IUPAC[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-5-7-20(8-6-17)29-22-21(24-11-12-25-22)19-4-3-13-27(16-19)23(28)18-9-14-26(2)15-10-18/h5-8,11-12,18-19H,3-4,9-10,13-16H2,1-2H3/t19-/m0/s1
InChIKeyYUCMQQILWXIEBR-IBGZPJMESA-N
MW394.52 g/mol
LogP3.63
Rot. Bonds4

About [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone

[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (PubChem CID 95823451) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
PubChem CID95823451
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
SMILESCc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1
InChIInChI=1S/C23H30N4O2/c1-17-5-7-20(8-6-17)29-22-21(24-11-12-25-22)19-4-3-13-27(16-19)23(28)18-9-14-26(2)15-10-18/h5-8,11-12,18-19H,3-4,9-10,13-16H2,1-2H3/t19-/m0/s1
InChIKeyYUCMQQILWXIEBR-IBGZPJMESA-N
XLogP3.63
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3R)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823111
[3-[3-(3-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 110256734
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
[(3S)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823148
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
2-amino-1-[(3R)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95823413
[(3R)-3-[3-(2-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 95823091
(1,5-dimethylpyrazol-4-yl)-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95822826
[(3R)-3-[3-(4-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 95823457
2-amino-2-methyl-1-[4-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95823275
2,4-dimethoxy-6-[3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
CID 175657942

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The IUPAC name of [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone (CID 95823451) is [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The canonical SMILES for [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is Cc1ccc(Oc2nccnc2[C@H]2CCCN(C(=O)C3CCN(C)CC3)C2)cc1.
What is the InChIKey of [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
The InChIKey is YUCMQQILWXIEBR-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N4O2/c1-17-5-7-20(8-6-17)29-22-21(24-11-12-25-22)19-4-3-13-27(16-19)23(28)18-9-14-26(2)15-10-18/h5-8,11-12,18-19H,3-4,9-10,13-16H2,1-2H3/t19-/m0/s1.
What are the key properties of [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone?
[(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[3-(4-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone is sourced from PubChem (CID 95823451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).