N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide

C25H28N4O2 — CID 95819133

IUPACN-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccccc3)C2)c1
InChIInChI=1S/C25H28N4O2/c1-19(30)28-22-9-5-7-20(17-22)24-25(27-13-12-26-24)21-8-6-14-29(18-21)15-16-31-23-10-3-2-4-11-23/h2-5,7,9-13,17,21H,6,8,14-16,18H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyNNHOTJMTTJNXRR-OAQYLSRUSA-N
MW416.53 g/mol
LogP4.36
Rot. Bonds7

About N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide

N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide (PubChem CID 95819133) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
PubChem CID95819133
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccccc3)C2)c1
InChIInChI=1S/C25H28N4O2/c1-19(30)28-22-9-5-7-20(17-22)24-25(27-13-12-26-24)21-8-6-14-29(18-21)15-16-31-23-10-3-2-4-11-23/h2-5,7,9-13,17,21H,6,8,14-16,18H2,1H3,(H,28,30)/t21-/m1/s1
InChIKeyNNHOTJMTTJNXRR-OAQYLSRUSA-N
XLogP4.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 110254948
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95819119
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819324
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
3-[3-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818755
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95818963
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine
CID 95819239
cyclopentyl-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95819187
1-[4-[(3R)-3-[3-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 95819344
[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95818691

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide (CID 95819133) is N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nccnc2[C@@H]2CCCN(CCOc3ccccc3)C2)c1.
What is the InChIKey of N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is NNHOTJMTTJNXRR-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-19(30)28-22-9-5-7-20(17-22)24-25(27-13-12-26-24)21-8-6-14-29(18-21)15-16-31-23-10-3-2-4-11-23/h2-5,7,9-13,17,21H,6,8,14-16,18H2,1H3,(H,28,30)/t21-/m1/s1.
What are the key properties of N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 416.53 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 95819133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).