4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide

C19H22N4O2 — CID 110086108

IUPAC4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2ccccc2)CCN1C(=O)c1ccccn1
InChIInChI=1S/C19H22N4O2/c1-20-18(24)17-14-22(13-15-7-3-2-4-8-15)11-12-23(17)19(25)16-9-5-6-10-21-16/h2-10,17H,11-14H2,1H3,(H,20,24)
InChIKeyJCKLAHVEPVVPRX-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.15
Rot. Bonds4

About 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide

4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide (PubChem CID 110086108) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
PubChem CID110086108
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(Cc2ccccc2)CCN1C(=O)c1ccccn1
InChIInChI=1S/C19H22N4O2/c1-20-18(24)17-14-22(13-15-7-3-2-4-8-15)11-12-23(17)19(25)16-9-5-6-10-21-16/h2-10,17H,11-14H2,1H3,(H,20,24)
InChIKeyJCKLAHVEPVVPRX-UHFFFAOYSA-N
XLogP1.15
TPSA65.54 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 ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-benzyl-N-methyl-1-pyrimidin-2-ylpiperazine-2-carboxamide
CID 95826161
4-benzyl-N-methyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-2-carboxamide
CID 110076313
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
(2S)-4-benzyl-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N-methylpiperazine-2-carboxamide
CID 129455052
(2S)-N-methyl-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 124984883
(2S)-4-benzyl-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]piperazine-2-carboxamide
CID 129458336
4-benzyl-1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-methylpiperazine-2-carboxamide
CID 175657840
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124979390
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175657649
(2R)-4-benzyl-N-methyl-1-[[3-(pyridin-3-ylmethoxy)phenyl]methyl]piperazine-2-carboxamide
CID 129458144
4-benzyl-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-methylpiperazine-2-carboxamide
CID 132779506

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide (CID 110086108) is 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide is CNC(=O)C1CN(Cc2ccccc2)CCN1C(=O)c1ccccn1.
What is the InChIKey of 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is JCKLAHVEPVVPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-20-18(24)17-14-22(13-15-7-3-2-4-8-15)11-12-23(17)19(25)16-9-5-6-10-21-16/h2-10,17H,11-14H2,1H3,(H,20,24).
What are the key properties of 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide?
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 110086108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).