2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide

C21H26N4O2 — CID 122556170

IUPAC2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCc3ccnc(C)c3)C(C)C2=O)cc1
InChIInChI=1S/C21H26N4O2/c1-15-4-6-18(7-5-15)14-24-10-11-25(17(3)20(24)26)21(27)23-13-19-8-9-22-16(2)12-19/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,23,27)
InChIKeyNQZFJECZDIMSLD-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.64
Rot. Bonds4

About 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide

2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide (PubChem CID 122556170) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide
PubChem CID122556170
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCc3ccnc(C)c3)C(C)C2=O)cc1
InChIInChI=1S/C21H26N4O2/c1-15-4-6-18(7-5-15)14-24-10-11-25(17(3)20(24)26)21(27)23-13-19-8-9-22-16(2)12-19/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,23,27)
InChIKeyNQZFJECZDIMSLD-UHFFFAOYSA-N
XLogP2.64
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(4-methylphenyl)methyl]-N-(2-morpholin-4-ylethyl)-3-oxopiperazine-1-carboxamide
CID 119068276
(2S)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxo-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 126428979
4-(3-cyclopropylpropanoyl)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 50971487
N-[(2-methyl-4-pyridinyl)methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 122557299
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 119065622
4-[2-hydroxypropyl(methyl)amino]-N-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 138019313
(E)-N-[(2-methyl-4-pyridinyl)methyl]but-2-enamide
CID 131243847
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 125174412
(3S)-3-hydroxy-1-[(4-methylphenyl)methyl]pyrrolidin-2-one
CID 118207331
tert-butyl (2S)-4-benzyl-2-methyl-3-oxopiperazine-1-carboxylate
CID 70242311

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide (CID 122556170) is 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)NCc3ccnc(C)c3)C(C)C2=O)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is NQZFJECZDIMSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-4-6-18(7-5-15)14-24-10-11-25(17(3)20(24)26)21(27)23-13-19-8-9-22-16(2)12-19/h4-9,12,17H,10-11,13-14H2,1-3H3,(H,23,27).
What are the key properties of 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide?
2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methyl]-N-[(2-methyl-4-pyridinyl)methyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 122556170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).