N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide

C19H22N4O3 — CID 95819324

IUPACN-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CO)C2)c1
InChIInChI=1S/C19H22N4O3/c1-13(25)22-16-6-2-4-14(10-16)18-19(21-8-7-20-18)15-5-3-9-23(11-15)17(26)12-24/h2,4,6-8,10,15,24H,3,5,9,11-12H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeySIRRIBJGGQYOAY-HNNXBMFYSA-N
MW354.41 g/mol
LogP1.80
Rot. Bonds4

About N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide

N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide (PubChem CID 95819324) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
PubChem CID95819324
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CO)C2)c1
InChIInChI=1S/C19H22N4O3/c1-13(25)22-16-6-2-4-14(10-16)18-19(21-8-7-20-18)15-5-3-9-23(11-15)17(26)12-24/h2,4,6-8,10,15,24H,3,5,9,11-12H2,1H3,(H,22,25)/t15-/m0/s1
InChIKeySIRRIBJGGQYOAY-HNNXBMFYSA-N
XLogP1.80
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
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
2-[(3R)-3-[3-(3-acetamidophenyl)pyrazin-2-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 95819119
N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819133
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 95819285
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-phenylethanone
CID 110254922
1-[(3R)-3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95819217
3-[3-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818967
3-[3-[(3R)-1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819100
3-[3-[1-(2-pyridin-2-ylacetyl)piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110255040
1-[3-[3-(3-methylphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110255017

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide (CID 95819324) is N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CO)C2)c1.
What is the InChIKey of N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
The InChIKey is SIRRIBJGGQYOAY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-13(25)22-16-6-2-4-14(10-16)18-19(21-8-7-20-18)15-5-3-9-23(11-15)17(26)12-24/h2,4,6-8,10,15,24H,3,5,9,11-12H2,1H3,(H,22,25)/t15-/m0/s1.
What are the key properties of N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide?
N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(3S)-1-(2-hydroxyacetyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide is sourced from PubChem (CID 95819324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).