3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

C23H28FN5O3 — CID 91634641

IUPAC3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)CC(=O)Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN5O3/c1-23(2,3)14-18(30)28-20-19(25-10-11-26-20)21(31)27-17-8-12-29(13-9-17)22(32)15-4-6-16(24)7-5-15/h4-7,10-11,17H,8-9,12-14H2,1-3H3,(H,27,31)(H,26,28,30)
InChIKeyDEEZFGRGPCOZME-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.03
Rot. Bonds5

About 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide

3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (PubChem CID 91634641) has the molecular formula C23H28FN5O3 and a molecular weight of 441.51 g/mol. Its IUPAC name is 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
PubChem CID91634641
Molecular FormulaC23H28FN5O3
Molecular Weight441.51 g/mol
Exact Mass441.22
IUPAC Name3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
SMILESCC(C)(C)CC(=O)Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN5O3/c1-23(2,3)14-18(30)28-20-19(25-10-11-26-20)21(31)27-17-8-12-29(13-9-17)22(32)15-4-6-16(24)7-5-15/h4-7,10-11,17H,8-9,12-14H2,1-3H3,(H,27,31)(H,26,28,30)
InChIKeyDEEZFGRGPCOZME-UHFFFAOYSA-N
XLogP3.03
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzoylpiperidin-4-yl)-3-[(4-fluorobenzoyl)amino]pyrazine-2-carboxamide
CID 42853839
N-[1-(3-cyanobenzoyl)piperidin-4-yl]-3-(3,3-dimethylbutanoylamino)pyrazine-2-carboxamide
CID 42866648
3-benzamido-N-(1-benzoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 90488210
3-[(2-fluorobenzoyl)amino]-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 46049084
3-(cyclopentanecarbonylamino)-N-[1-(4-methylbenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853928
3,3-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 110821216
3-[(2,4-difluorobenzoyl)amino]-N-[1-(4-nitrobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853984
3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide
CID 42853833
methyl 4-[[3-(2,2-dimethylpropanoylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 42853977
N-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(furan-3-carbonylamino)pyrazine-2-carboxamide
CID 42866684
3-[(2,4-difluorobenzoyl)amino]-N-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 46049147
N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821662

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide (CID 91634641) is 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is CC(C)(C)CC(=O)Nc1nccnc1C(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
The InChIKey is DEEZFGRGPCOZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3/c1-23(2,3)14-18(30)28-20-19(25-10-11-26-20)21(31)27-17-8-12-29(13-9-17)22(32)15-4-6-16(24)7-5-15/h4-7,10-11,17H,8-9,12-14H2,1-3H3,(H,27,31)(H,26,28,30).
What are the key properties of 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide?
3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide has a molecular weight of 441.51 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutanoylamino)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 91634641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).