N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide

C22H30N4O — CID 55939655

IUPACN-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCCCN2CCN(C)CC2c2ccccc2)cn1
InChIInChI=1S/C22H30N4O/c1-18-9-10-19(16-24-18)15-22(27)23-11-6-12-26-14-13-25(2)17-21(26)20-7-4-3-5-8-20/h3-5,7-10,16,21H,6,11-15,17H2,1-2H3,(H,23,27)
InChIKeyREKARAJYWFRSIP-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.43
Rot. Bonds7

About N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide

N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide (PubChem CID 55939655) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
PubChem CID55939655
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide
SMILESCc1ccc(CC(=O)NCCCN2CCN(C)CC2c2ccccc2)cn1
InChIInChI=1S/C22H30N4O/c1-18-9-10-19(16-24-18)15-22(27)23-11-6-12-26-14-13-25(2)17-21(26)20-7-4-3-5-8-20/h3-5,7-10,16,21H,6,11-15,17H2,1-2H3,(H,23,27)
InChIKeyREKARAJYWFRSIP-UHFFFAOYSA-N
XLogP2.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-3-phenylpropanamide
CID 37295921
2-(2-methoxyphenyl)-N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]acetamide
CID 37295525
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713
3-(1,3-benzodioxol-5-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55620679
2-ethoxy-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 55620653
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinoline-4-carboxamide
CID 166205908
N-[3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]propyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 99844784
(2R)-N-[3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]propyl]-2-phenylbutanamide
CID 124813932
2-(2-ethylbenzimidazol-1-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 55620613
N-[2-(2-methylphenyl)ethyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801947
methyl 4-(4-methyl-2-phenylpiperazin-1-yl)butanoate
CID 43377701
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]propanamide
CID 55620817

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide?
The IUPAC name of N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide (CID 55939655) is N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide?
The canonical SMILES for N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide is Cc1ccc(CC(=O)NCCCN2CCN(C)CC2c2ccccc2)cn1.
What is the InChIKey of N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide?
The InChIKey is REKARAJYWFRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-18-9-10-19(16-24-18)15-22(27)23-11-6-12-26-14-13-25(2)17-21(26)20-7-4-3-5-8-20/h3-5,7-10,16,21H,6,11-15,17H2,1-2H3,(H,23,27).
What are the key properties of N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide?
N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide has a molecular weight of 366.51 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]-2-(6-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 55939655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).