1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one

C22H33N5O2 — CID 134089921

IUPAC1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(C(=O)C2CNNC2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H33N5O2/c28-21(26-14-12-25(13-15-26)20-4-2-1-3-5-20)7-6-18-8-10-27(11-9-18)22(29)19-16-23-24-17-19/h1-5,18-19,23-24H,6-17H2
InChIKeyCGOAPTNNEWEACG-UHFFFAOYSA-N
MW399.54 g/mol
LogP1.08
Rot. Bonds5

About 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one

1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one (PubChem CID 134089921) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one
PubChem CID134089921
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCC1CCN(C(=O)C2CNNC2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H33N5O2/c28-21(26-14-12-25(13-15-26)20-4-2-1-3-5-20)7-6-18-8-10-27(11-9-18)22(29)19-16-23-24-17-19/h1-5,18-19,23-24H,6-17H2
InChIKeyCGOAPTNNEWEACG-UHFFFAOYSA-N
XLogP1.08
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one with MolForge

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Related Compounds

3-[1-[(1R,2R,4R)-bicyclo[2.2.1]hept-5-ene-2-carbonyl]piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42516202
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
3-cyclohexyl-1-[4-[1-(3-phenylpropanoyl)piperidine-4-carbonyl]piperazin-1-yl]propan-1-one
CID 55916326
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
1-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-3-phenylurea
CID 42767183
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42101690
methyl (4S)-4-[4-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]piperidin-1-yl]pentanoate
CID 42533077
4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673013
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
oxan-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 110853203

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one (CID 134089921) is 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one is O=C(CCC1CCN(C(=O)C2CNNC2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one?
The InChIKey is CGOAPTNNEWEACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c28-21(26-14-12-25(13-15-26)20-4-2-1-3-5-20)7-6-18-8-10-27(11-9-18)22(29)19-16-23-24-17-19/h1-5,18-19,23-24H,6-17H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one?
1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one has a molecular weight of 399.54 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-3-[1-(pyrazolidine-4-carbonyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 134089921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).