N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide

C24H22FN5O3 — CID 42853839

IUPACN-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H22FN5O3/c25-18-8-6-16(7-9-18)22(31)29-21-20(26-12-13-27-21)23(32)28-19-10-14-30(15-11-19)24(33)17-4-2-1-3-5-17/h1-9,12-13,19H,10-11,14-15H2,(H,28,32)(H,27,29,31)
InChIKeyKHVUPCSZPFYJIG-UHFFFAOYSA-N
MW447.47 g/mol
LogP2.90
Rot. Bonds5

About N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide

N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 42853839) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
PubChem CID42853839
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC NameN-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
SMILESO=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H22FN5O3/c25-18-8-6-16(7-9-18)22(31)29-21-20(26-12-13-27-21)23(32)28-19-10-14-30(15-11-19)24(33)17-4-2-1-3-5-17/h1-9,12-13,19H,10-11,14-15H2,(H,28,32)(H,27,29,31)
InChIKeyKHVUPCSZPFYJIG-UHFFFAOYSA-N
XLogP2.90
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 91634641
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
CID 42866684
3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide
CID 42853833
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875
3-[(2,4-difluorobenzoyl)amino]-N-[1-(4-nitrobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853984
3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049147
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
3-[(3,4-difluorobenzoyl)amino]-N-[1-(furan-2-carbonyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866708
3-(furan-3-carbonylamino)-N-[1-(3-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42866687

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide (CID 42853839) is N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide is O=C(Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is KHVUPCSZPFYJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c25-18-8-6-16(7-9-18)22(31)29-21-20(26-12-13-27-21)23(32)28-19-10-14-30(15-11-19)24(33)17-4-2-1-3-5-17/h1-9,12-13,19H,10-11,14-15H2,(H,28,32)(H,27,29,31).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide?
N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 447.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 42853839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).