N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide

C25H27N5O3 — CID 42866621

IUPACN-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N5O3/c1-33-21-9-7-19(8-10-21)24(31)29-23-22(26-13-14-27-23)25(32)28-20-11-15-30(16-12-20)17-18-5-3-2-4-6-18/h2-10,13-14,20H,11-12,15-17H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyAWTWKPNNTAFORE-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.13
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide

N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 42866621) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
PubChem CID42866621
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C25H27N5O3/c1-33-21-9-7-19(8-10-21)24(31)29-23-22(26-13-14-27-23)25(32)28-20-11-15-30(16-12-20)17-18-5-3-2-4-6-18/h2-10,13-14,20H,11-12,15-17H2,1H3,(H,28,32)(H,27,29,31)
InChIKeyAWTWKPNNTAFORE-UHFFFAOYSA-N
XLogP3.13
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-3-(2,2-dimethylpropanoylamino)pyrazine-2-carboxamide
CID 42866628
N-[1-(cyclohexylcarbamoyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 42866717
3-[(4-methoxybenzoyl)amino]-N-[1-(2-methoxybenzoyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853875
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 46049068
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
3-[(4-methylbenzoyl)amino]-N-[1-(2-phenylacetyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 42853891
3-[(4-methylbenzoyl)amino]-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]pyrazine-2-carboxamide
CID 42866759
N-[3-(4-benzylpiperidine-1-carbonyl)pyrazin-2-yl]-4-methoxybenzamide
CID 53166526
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
3-benzamido-N-(1-propanoylpiperidin-4-yl)pyrazine-2-carboxamide
CID 83281431
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide (CID 42866621) is N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is COc1ccc(C(=O)Nc2nccnc2C(=O)NC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is AWTWKPNNTAFORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-33-21-9-7-19(8-10-21)24(31)29-23-22(26-13-14-27-23)25(32)28-20-11-15-30(16-12-20)17-18-5-3-2-4-6-18/h2-10,13-14,20H,11-12,15-17H2,1H3,(H,28,32)(H,27,29,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 42866621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).