(5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone

C15H21N5O2 — CID 75257960

IUPAC(5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone
SMILESNC1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)NN1
InChIInChI=1S/C15H21N5O2/c16-13-10-12(17-18-13)15(22)20-8-6-19(7-9-20)14(21)11-4-2-1-3-5-11/h1-5,12-13,17-18H,6-10,16H2
InChIKeyGLFZWZDVKRBWFG-UHFFFAOYSA-N
MW303.37 g/mol
LogP-0.88
Rot. Bonds2

About (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone

(5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone (PubChem CID 75257960) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone
PubChem CID75257960
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone
SMILESNC1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)NN1
InChIInChI=1S/C15H21N5O2/c16-13-10-12(17-18-13)15(22)20-8-6-19(7-9-20)14(21)11-4-2-1-3-5-11/h1-5,12-13,17-18H,6-10,16H2
InChIKeyGLFZWZDVKRBWFG-UHFFFAOYSA-N
XLogP-0.88
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-ethylbenzoyl)piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 52987319
(2-aminocyclopentyl)-(4-benzoylpiperazin-1-yl)methanone
CID 119683412
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
azetidin-1-yl-(5-phenylpyrazolidin-3-yl)methanone
CID 52973016
(4-benzoylpiperazin-1-yl)-[(1R,2R,4S)-spiro[bicyclo[2.2.1]heptane-7,1'-cyclopropane]-2-yl]methanone
CID 167920924
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-phenylmethanone
CID 63341086
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
1-(4-benzoyl-1,4-diazepan-1-yl)ethanone
CID 44603157
4-benzoylpiperazine-1-carbothialdehyde
CID 145488084

Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone?
The IUPAC name of (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone (CID 75257960) is (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone?
The canonical SMILES for (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone is NC1CC(C(=O)N2CCN(C(=O)c3ccccc3)CC2)NN1.
What is the InChIKey of (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone?
The InChIKey is GLFZWZDVKRBWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c16-13-10-12(17-18-13)15(22)20-8-6-19(7-9-20)14(21)11-4-2-1-3-5-11/h1-5,12-13,17-18H,6-10,16H2.
What are the key properties of (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone?
(5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of -0.88, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazolidin-3-yl)-(4-benzoylpiperazin-1-yl)methanone is sourced from PubChem (CID 75257960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).