N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide

C24H25ClN4O — CID 95819285

IUPACN-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C24H25ClN4O/c1-17(30)28-22-9-7-18(8-10-22)15-29-13-3-5-20(16-29)24-23(26-11-12-27-24)19-4-2-6-21(25)14-19/h2,4,6-12,14,20H,3,5,13,15-16H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyPKURZKJGPZWNPI-FQEVSTJZSA-N
MW420.94 g/mol
LogP5.14
Rot. Bonds5

About N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide

N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide (PubChem CID 95819285) has the molecular formula C24H25ClN4O and a molecular weight of 420.94 g/mol. Its IUPAC name is N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
PubChem CID95819285
Molecular FormulaC24H25ClN4O
Molecular Weight420.94 g/mol
Exact Mass420.17
IUPAC NameN-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1
InChIInChI=1S/C24H25ClN4O/c1-17(30)28-22-9-7-18(8-10-22)15-29-13-3-5-20(16-29)24-23(26-11-12-27-24)19-4-2-6-21(25)14-19/h2,4,6-12,14,20H,3,5,13,15-16H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyPKURZKJGPZWNPI-FQEVSTJZSA-N
XLogP5.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.94
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-[(3R)-1-benzylpiperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95818594
N-[4-[[3-[6-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide
CID 110255391
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
3-[3-[(3S)-1-benzylpiperidin-3-yl]pyrazin-2-yl]benzamide
CID 95818592
1-[3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 110089878
3-[3-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 110254810
N-[3-[3-[(3R)-1-(2-phenoxyethyl)piperidin-3-yl]pyrazin-2-yl]phenyl]acetamide
CID 95819133
N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-yl]methyl]phenyl]acetamide
CID 26405826
2-(3-chlorophenyl)-3-(1-cyclopentylpiperidin-3-yl)pyrazine
CID 110254777
3-[3-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrazin-2-yl]benzamide
CID 95819300
(3R)-3-[3-(3-chlorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95819020

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide (CID 95819285) is N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1.
What is the InChIKey of N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
The InChIKey is PKURZKJGPZWNPI-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H25ClN4O/c1-17(30)28-22-9-7-18(8-10-22)15-29-13-3-5-20(16-29)24-23(26-11-12-27-24)19-4-2-6-21(25)14-19/h2,4,6-12,14,20H,3,5,13,15-16H2,1H3,(H,28,30)/t20-/m0/s1.
What are the key properties of N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide?
N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide has a molecular weight of 420.94 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3S)-3-[3-(3-chlorophenyl)pyrazin-2-yl]piperidin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 95819285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).