N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide

C21H26N4O3 — CID 175657649

IUPACN-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C21H26N4O3/c1-22-20(27)18-15-24(11-10-16-6-4-3-5-7-16)12-13-25(18)21(28)17-8-9-19(26)23(2)14-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,27)
InChIKeyKSEVMDABYSZUIV-UHFFFAOYSA-N
MW382.46 g/mol
LogP0.50
Rot. Bonds5

About N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide

N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide (PubChem CID 175657649) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
PubChem CID175657649
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C21H26N4O3/c1-22-20(27)18-15-24(11-10-16-6-4-3-5-7-16)12-13-25(18)21(28)17-8-9-19(26)23(2)14-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,27)
InChIKeyKSEVMDABYSZUIV-UHFFFAOYSA-N
XLogP0.50
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
N-methyl-1-[2-(2-oxopyrrolidin-1-yl)acetyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175658408
(2S)-1-(1-benzyl-4-methylpiperidine-4-carbonyl)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124979390
(2S)-4-(1-methyl-6-oxopyridine-3-carbonyl)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 124953550
N-methyl-1-[3-(5-methylpyrazol-1-yl)propanoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 175659103
1-methyl-5-[(2R)-2-(2-phenylethyl)piperidine-1-carbonyl]pyridin-2-one
CID 97084725
(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633580
4-benzyl-N-methyl-1-(pyridine-2-carbonyl)piperazine-2-carboxamide
CID 110086108
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
(2S)-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 95804018
1-(3,4-difluorobenzoyl)-4-ethyl-N-methylpiperazine-2-carboxamide
CID 24733104
4-benzyl-N-methyl-1-[3-(pyrimidin-2-ylamino)benzoyl]piperazine-2-carboxamide
CID 110076313

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide (CID 175657649) is N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide is CNC(=O)C1CN(CCc2ccccc2)CCN1C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide?
The InChIKey is KSEVMDABYSZUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-22-20(27)18-15-24(11-10-16-6-4-3-5-7-16)12-13-25(18)21(28)17-8-9-19(26)23(2)14-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,27).
What are the key properties of N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide?
N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-6-oxopyridine-3-carbonyl)-4-(2-phenylethyl)piperazine-2-carboxamide is sourced from PubChem (CID 175657649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).