(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone

C23H39N5O3 — CID 92986750

IUPAC(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC(C)[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1
InChIInChI=1S/C23H39N5O3/c1-18(2)21(29)15-25-7-9-26(10-8-25)16-22-24-20(17-31-22)23(30)28-13-11-27(12-14-28)19-5-3-4-6-19/h17-19,21,29H,3-16H2,1-2H3/t21-/m0/s1
InChIKeyPORWMBWHAQZLJR-NRFANRHFSA-N
MW433.60 g/mol
LogP1.51
Rot. Bonds7

About (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 92986750) has the molecular formula C23H39N5O3 and a molecular weight of 433.60 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
PubChem CID92986750
Molecular FormulaC23H39N5O3
Molecular Weight433.60 g/mol
Exact Mass433.31
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
SMILESCC(C)[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1
InChIInChI=1S/C23H39N5O3/c1-18(2)21(29)15-25-7-9-26(10-8-25)16-22-24-20(17-31-22)23(30)28-13-11-27(12-14-28)19-5-3-4-6-19/h17-19,21,29H,3-16H2,1-2H3/t21-/m0/s1
InChIKeyPORWMBWHAQZLJR-NRFANRHFSA-N
XLogP1.51
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-cyclopentylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051493
(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856036
(4-cyclohexylpiperazin-1-yl)-[2-[[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856031
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986635
N-cyclohexyl-2-[[4-[(2S)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986253
N-cyclohexyl-2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986264
(4-benzylpiperazin-1-yl)-[2-[[4-[(2S)-2-hydroxy-3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 92986576
N-(3-chloro-4-fluorophenyl)-2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxamide
CID 92986472
[4-(2,6-dimethylphenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 42856041
(3R)-N,N-diethyl-1-[2-[[4-[(2S)-2-hydroxypentyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 92986615
[2-[[4-(2-hydroxy-3-phenylmethoxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 42855959
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[[4-(2-hydroxy-3-propan-2-yloxypropyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone
CID 46051435

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone (CID 92986750) is (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is CC(C)[C@@H](O)CN1CCN(Cc2nc(C(=O)N3CCN(C4CCCC4)CC3)co2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is PORWMBWHAQZLJR-NRFANRHFSA-N. The full InChI is InChI=1S/C23H39N5O3/c1-18(2)21(29)15-25-7-9-26(10-8-25)16-22-24-20(17-31-22)23(30)28-13-11-27(12-14-28)19-5-3-4-6-19/h17-19,21,29H,3-16H2,1-2H3/t21-/m0/s1.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 433.60 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[2-[[4-[(2R)-2-hydroxy-3-methylbutyl]piperazin-1-yl]methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 92986750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).