N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide

C21H28N4O3 — CID 91830184

IUPACN-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(c3ncccc3C)CC2)cc(OC)c1
InChIInChI=1S/C21H28N4O3/c1-16-5-4-7-22-21(16)25-11-9-24(10-12-25)8-6-20(26)23-17-13-18(27-2)15-19(14-17)28-3/h4-5,7,13-15H,6,8-12H2,1-3H3,(H,23,26)
InChIKeyILJKCUMIZJNFTL-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.56
Rot. Bonds7

About N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide

N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide (PubChem CID 91830184) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide
PubChem CID91830184
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide
SMILESCOc1cc(NC(=O)CCN2CCN(c3ncccc3C)CC2)cc(OC)c1
InChIInChI=1S/C21H28N4O3/c1-16-5-4-7-22-21(16)25-11-9-24(10-12-25)8-6-20(26)23-17-13-18(27-2)15-19(14-17)28-3/h4-5,7,13-15H,6,8-12H2,1-3H3,(H,23,26)
InChIKeyILJKCUMIZJNFTL-UHFFFAOYSA-N
XLogP2.56
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 1149684
N-(3,5-dimethoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 15995513
N-(3-methoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029405
N-(3-chloro-5-methoxyphenyl)-3-(4-methylpiperazin-1-yl)propanamide;hydrochloride
CID 2916697
N-(3-acetamidophenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030558
ethyl 1-[3-(3,5-dimethoxyanilino)-3-oxopropyl]piperidine-4-carboxylate;hydrochloride
CID 90483657
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3,4,5-trichlorophenyl)propanamide
CID 142695553
ethyl 4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propanoylamino]benzoate
CID 109030572
4-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 62254406
3-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 134031904
2-[2-(3,5-dimethoxyanilino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 859319

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide (CID 91830184) is N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide is COc1cc(NC(=O)CCN2CCN(c3ncccc3C)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide?
The InChIKey is ILJKCUMIZJNFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-16-5-4-7-22-21(16)25-11-9-24(10-12-25)8-6-20(26)23-17-13-18(27-2)15-19(14-17)28-3/h4-5,7,13-15H,6,8-12H2,1-3H3,(H,23,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide?
N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide has a molecular weight of 384.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 91830184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).