N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide

C19H22N4O2 — CID 42783454

IUPACN-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCCC(C(=O)NCc3ccccc3)C2)cn1
InChIInChI=1S/C19H22N4O2/c1-14-10-21-17(12-20-14)19(25)23-9-5-8-16(13-23)18(24)22-11-15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3,(H,22,24)
InChIKeyUSVVXJJTHYALCO-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.95
Rot. Bonds4

About N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide

N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide (PubChem CID 42783454) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
PubChem CID42783454
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
SMILESCc1cnc(C(=O)N2CCCC(C(=O)NCc3ccccc3)C2)cn1
InChIInChI=1S/C19H22N4O2/c1-14-10-21-17(12-20-14)19(25)23-9-5-8-16(13-23)18(24)22-11-15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3,(H,22,24)
InChIKeyUSVVXJJTHYALCO-UHFFFAOYSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 1031755
N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 83286879
(3R)-N-benzyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 97478212
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
methyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 78919443
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
1-(2-chlorobenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 50804467
ethyl (3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylate
CID 81345143
[1-(5-methylpyrazine-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 42783455
(3S)-1-benzoyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidine-3-carboxamide
CID 124739989
N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
CID 77041745

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide (CID 42783454) is N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide is Cc1cnc(C(=O)N2CCCC(C(=O)NCc3ccccc3)C2)cn1.
What is the InChIKey of N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide?
The InChIKey is USVVXJJTHYALCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-10-21-17(12-20-14)19(25)23-9-5-8-16(13-23)18(24)22-11-15-6-3-2-4-7-15/h2-4,6-7,10,12,16H,5,8-9,11,13H2,1H3,(H,22,24).
What are the key properties of N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide?
N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42783454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).