3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide

C21H26N4O2 — CID 124749511

IUPAC3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide
SMILESCc1cccc(CN2CCN(CCC(=O)Nc3cccnc3)[C@H](C)C2=O)c1
InChIInChI=1S/C21H26N4O2/c1-16-5-3-6-18(13-16)15-25-12-11-24(17(2)21(25)27)10-8-20(26)23-19-7-4-9-22-14-19/h3-7,9,13-14,17H,8,10-12,15H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyARZUQVAAKYAEDF-QGZVFWFLSA-N
MW366.47 g/mol
LogP2.45
Rot. Bonds6

About 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide

3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide (PubChem CID 124749511) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide
PubChem CID124749511
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide
SMILESCc1cccc(CN2CCN(CCC(=O)Nc3cccnc3)[C@H](C)C2=O)c1
InChIInChI=1S/C21H26N4O2/c1-16-5-3-6-18(13-16)15-25-12-11-24(17(2)21(25)27)10-8-20(26)23-19-7-4-9-22-14-19/h3-7,9,13-14,17H,8,10-12,15H2,1-2H3,(H,23,26)/t17-/m1/s1
InChIKeyARZUQVAAKYAEDF-QGZVFWFLSA-N
XLogP2.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
5-[[(2S)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 124753780
N-(3-methylphenyl)-3-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]propanamide
CID 25289024
(3R)-4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-3-methyl-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 99928517
3-methyl-1-[(3-methylphenyl)methyl]-4-[2-(propan-2-ylamino)pyrimidine-5-carbonyl]piperazin-2-one
CID 46998864
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215
N-(cyclohexylmethyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 119065622
(2R)-N-(2,3-difluorophenyl)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazine-1-carboxamide
CID 125174412
3-(3,5-dimethylpyrazol-1-yl)-N-pyridin-3-ylpropanamide
CID 15943466
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
(1R,5S,6S)-3-[(3-methylphenyl)methyl]-N-pyridin-3-yl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 155900958
1-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-pyridin-3-ylurea
CID 124623266

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide (CID 124749511) is 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide is Cc1cccc(CN2CCN(CCC(=O)Nc3cccnc3)[C@H](C)C2=O)c1.
What is the InChIKey of 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide?
The InChIKey is ARZUQVAAKYAEDF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-5-3-6-18(13-16)15-25-12-11-24(17(2)21(25)27)10-8-20(26)23-19-7-4-9-22-14-19/h3-7,9,13-14,17H,8,10-12,15H2,1-2H3,(H,23,26)/t17-/m1/s1.
What are the key properties of 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide?
3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide has a molecular weight of 366.47 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-methyl-4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 124749511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).