1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide

C26H30N4O2 — CID 92883993

IUPAC1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1
InChIInChI=1S/C26H30N4O2/c1-20(12-13-21-8-4-2-5-9-21)29-25(31)22-14-18-30(19-15-22)24-26(28-17-16-27-24)32-23-10-6-3-7-11-23/h2-11,16-17,20,22H,12-15,18-19H2,1H3,(H,29,31)/t20-/m0/s1
InChIKeyXDHTVMIZDKQGJD-FQEVSTJZSA-N
MW430.55 g/mol
LogP4.62
Rot. Bonds8

About 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide

1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide (PubChem CID 92883993) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
PubChem CID92883993
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
SMILESC[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1
InChIInChI=1S/C26H30N4O2/c1-20(12-13-21-8-4-2-5-9-21)29-25(31)22-14-18-30(19-15-22)24-26(28-17-16-27-24)32-23-10-6-3-7-11-23/h2-11,16-17,20,22H,12-15,18-19H2,1H3,(H,29,31)/t20-/m0/s1
InChIKeyXDHTVMIZDKQGJD-FQEVSTJZSA-N
XLogP4.62
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide (CID 92883993) is 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide is C[C@@H](CCc1ccccc1)NC(=O)C1CCN(c2nccnc2Oc2ccccc2)CC1.
What is the InChIKey of 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
The InChIKey is XDHTVMIZDKQGJD-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-20(12-13-21-8-4-2-5-9-21)29-25(31)22-14-18-30(19-15-22)24-26(28-17-16-27-24)32-23-10-6-3-7-11-23/h2-11,16-17,20,22H,12-15,18-19H2,1H3,(H,29,31)/t20-/m0/s1.
What are the key properties of 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide?
1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxypyrazin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 92883993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).