(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

C25H28N4O2 — CID 95050445

IUPAC(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1
InChIInChI=1S/C25H28N4O2/c1-18(2)19-10-12-21(13-11-19)28-24(30)20-7-6-16-29(17-20)23-25(27-15-14-26-23)31-22-8-4-3-5-9-22/h3-5,8-15,18,20H,6-7,16-17H2,1-2H3,(H,28,30)/t20-/m0/s1
InChIKeySTKXDPPRMOQSTG-FQEVSTJZSA-N
MW416.53 g/mol
LogP5.25
Rot. Bonds6

About (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide

(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (PubChem CID 95050445) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
PubChem CID95050445
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
SMILESCC(C)c1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1
InChIInChI=1S/C25H28N4O2/c1-18(2)19-10-12-21(13-11-19)28-24(30)20-7-6-16-29(17-20)23-25(27-15-14-26-23)31-22-8-4-3-5-9-22/h3-5,8-15,18,20H,6-7,16-17H2,1-2H3,(H,28,30)/t20-/m0/s1
InChIKeySTKXDPPRMOQSTG-FQEVSTJZSA-N
XLogP5.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 95050500
(3R)-N-(4-ethoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050432
(3R)-N-(3-chloro-4-methoxyphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050455
(3S)-N-(3-ethylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050447
(3R)-N-(4-fluorophenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050387
(3R)-1-[3-(2-methylphenoxy)pyrazin-2-yl]-N-(4-methylphenyl)piperidine-3-carboxamide
CID 95050506
(3R)-N-(4-ethylphenyl)-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050382
(3S)-N-(4-fluorophenyl)-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 92897328
(3R)-N-(4-bromo-2-methylphenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 92897295
N-(4-chlorophenyl)-1-(3-phenoxypyrazin-2-yl)piperidine-4-carboxamide
CID 46392098
1-[3-(4-methylphenoxy)pyrazin-2-yl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 50836078
(3S)-N-pentyl-1-(3-phenoxypyrazin-2-yl)piperidine-3-carboxamide
CID 95050441

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide (CID 95050445) is (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3nccnc3Oc3ccccc3)C2)cc1.
What is the InChIKey of (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
The InChIKey is STKXDPPRMOQSTG-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18(2)19-10-12-21(13-11-19)28-24(30)20-7-6-16-29(17-20)23-25(27-15-14-26-23)31-22-8-4-3-5-9-22/h3-5,8-15,18,20H,6-7,16-17H2,1-2H3,(H,28,30)/t20-/m0/s1.
What are the key properties of (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide?
(3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-phenoxypyrazin-2-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 95050445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).