1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one

C24H34N4O2 — CID 10525639

IUPAC1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
SMILESCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1
InChIInChI=1S/C24H34N4O2/c1-24(2,3)22(29)19-9-7-12-25-23(19)26-13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26)
InChIKeyUFUNEVAWLBZGJJ-UHFFFAOYSA-N
MW410.56 g/mol
LogP3.94
Rot. Bonds8

About 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one

1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one (PubChem CID 10525639) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
PubChem CID10525639
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
SMILESCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1
InChIInChI=1S/C24H34N4O2/c1-24(2,3)22(29)19-9-7-12-25-23(19)26-13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26)
InChIKeyUFUNEVAWLBZGJJ-UHFFFAOYSA-N
XLogP3.94
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one (CID 10525639) is 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one is COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one?
The InChIKey is UFUNEVAWLBZGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-24(2,3)22(29)19-9-7-12-25-23(19)26-13-8-14-27-15-17-28(18-16-27)20-10-5-6-11-21(20)30-4/h5-7,9-12H,8,13-18H2,1-4H3,(H,25,26).
What are the key properties of 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one?
1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one has a molecular weight of 410.56 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 10525639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).