N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

C23H22N4O2 — CID 108557355

IUPACN-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1cnccn1
InChIInChI=1S/C23H22N4O2/c28-22(21-16-24-12-13-25-21)26-20-10-14-27(15-11-20)23(29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,12-13,16,20H,10-11,14-15H2,(H,26,28)
InChIKeyNSFYGNOCBITIFX-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 108557355) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID108557355
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1cnccn1
InChIInChI=1S/C23H22N4O2/c28-22(21-16-24-12-13-25-21)26-20-10-14-27(15-11-20)23(29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,12-13,16,20H,10-11,14-15H2,(H,26,28)
InChIKeyNSFYGNOCBITIFX-UHFFFAOYSA-N
XLogP3.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557370
N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557429
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 108557405
2-hydroxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108551435
5-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 47800468
2-chloro-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821271
4-tert-butyl-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108554177
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
methyl 4-(pyrazine-2-carbonylamino)piperidine-1-carboxylate
CID 110821817
4-methoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821265

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 108557355) is N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is O=C(NC1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1cnccn1.
What is the InChIKey of N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is NSFYGNOCBITIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-22(21-16-24-12-13-25-21)26-20-10-14-27(15-11-20)23(29)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,12-13,16,20H,10-11,14-15H2,(H,26,28).
What are the key properties of N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 108557355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).