1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

C22H28N4O3 — CID 48873718

IUPAC1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)c3cccnc3N(C)C)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-24(2)21-19(5-4-12-23-21)22(28)26-15-13-25(14-16-26)20(27)11-8-17-6-9-18(29-3)10-7-17/h4-7,9-10,12H,8,11,13-16H2,1-3H3
InChIKeySYUQBBYPIZZGSX-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.07
Rot. Bonds6

About 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one

1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one (PubChem CID 48873718) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
PubChem CID48873718
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)N2CCN(C(=O)c3cccnc3N(C)C)CC2)cc1
InChIInChI=1S/C22H28N4O3/c1-24(2)21-19(5-4-12-23-21)22(28)26-15-13-25(14-16-26)20(27)11-8-17-6-9-18(29-3)10-7-17/h4-7,9-10,12H,8,11,13-16H2,1-3H3
InChIKeySYUQBBYPIZZGSX-UHFFFAOYSA-N
XLogP2.07
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-aminopropanoyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 119306765
1-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]butan-1-one
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3-(4-methoxyphenyl)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 90558759
1-[3-(4-methoxyphenyl)propanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110350832
tert-butyl 4-[2-(dimethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 110312079
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 122334067
3-(4-methoxyphenyl)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 71996669
2-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]acetic acid
CID 119134967
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 110346884
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
3-(4-methoxyphenyl)-1-[4-(5-methyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110645765
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 108534002

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one (CID 48873718) is 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)N2CCN(C(=O)c3cccnc3N(C)C)CC2)cc1.
What is the InChIKey of 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is SYUQBBYPIZZGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-24(2)21-19(5-4-12-23-21)22(28)26-15-13-25(14-16-26)20(27)11-8-17-6-9-18(29-3)10-7-17/h4-7,9-10,12H,8,11,13-16H2,1-3H3.
What are the key properties of 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one?
1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 396.49 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(dimethylamino)pyridine-3-carbonyl]piperazin-1-yl]-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 48873718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).