[4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone

C16H24N4O — CID 170182493

IUPAC[4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
SMILESCNN1CCN(C(=O)C2CNCC2c2ccccc2)CC1
InChIInChI=1S/C16H24N4O/c1-17-20-9-7-19(8-10-20)16(21)15-12-18-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3
InChIKeyPRAPXIYAGFWBQL-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.27
Rot. Bonds3

About [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone

[4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone (PubChem CID 170182493) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
PubChem CID170182493
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name[4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone
SMILESCNN1CCN(C(=O)C2CNCC2c2ccccc2)CC1
InChIInChI=1S/C16H24N4O/c1-17-20-9-7-19(8-10-20)16(21)15-12-18-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3
InChIKeyPRAPXIYAGFWBQL-UHFFFAOYSA-N
XLogP0.27
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone?
The IUPAC name of [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone (CID 170182493) is [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone?
The canonical SMILES for [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone is CNN1CCN(C(=O)C2CNCC2c2ccccc2)CC1.
What is the InChIKey of [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone?
The InChIKey is PRAPXIYAGFWBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-17-20-9-7-19(8-10-20)16(21)15-12-18-11-14(15)13-5-3-2-4-6-13/h2-6,14-15,17-18H,7-12H2,1H3.
What are the key properties of [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone?
[4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperazin-1-yl]-(4-phenylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 170182493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).