1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one

C23H27N3O3 — CID 71368578

IUPAC1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
SMILESO=C1CCCCN1C(=O)c1cccc(CN2CCN(c3ccccc3O)CC2)c1
InChIInChI=1S/C23H27N3O3/c27-21-9-2-1-8-20(21)25-14-12-24(13-15-25)17-18-6-5-7-19(16-18)23(29)26-11-4-3-10-22(26)28/h1-2,5-9,16,27H,3-4,10-15,17H2
InChIKeyIEVZLBMQYCVCFZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.87
Rot. Bonds4

About 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one

1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one (PubChem CID 71368578) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
PubChem CID71368578
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
SMILESO=C1CCCCN1C(=O)c1cccc(CN2CCN(c3ccccc3O)CC2)c1
InChIInChI=1S/C23H27N3O3/c27-21-9-2-1-8-20(21)25-14-12-24(13-15-25)17-18-6-5-7-19(16-18)23(29)26-11-4-3-10-22(26)28/h1-2,5-9,16,27H,3-4,10-15,17H2
InChIKeyIEVZLBMQYCVCFZ-UHFFFAOYSA-N
XLogP2.87
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

but-2-enedioic acid;1-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one
CID 70152371
1-[[3-[4-(2-chlorophenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9210040
4-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzamide
CID 25329756
3-[[4-(3-chloro-2-methylphenyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122034044
1-[[3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 9034189
[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
3-(pyrrolidin-1-ylmethyl)benzoic acid
CID 16775864
[3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone
CID 60527766
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 24677814
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
N-(2-piperidin-1-ylphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 60560100
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-N-(4-methylphenyl)benzamide
CID 42858806

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one?
The IUPAC name of 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one (CID 71368578) is 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one.
What is the SMILES notation for 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one?
The canonical SMILES for 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one is O=C1CCCCN1C(=O)c1cccc(CN2CCN(c3ccccc3O)CC2)c1.
What is the InChIKey of 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one?
The InChIKey is IEVZLBMQYCVCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-21-9-2-1-8-20(21)25-14-12-24(13-15-25)17-18-6-5-7-19(16-18)23(29)26-11-4-3-10-22(26)28/h1-2,5-9,16,27H,3-4,10-15,17H2.
What are the key properties of 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one?
1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]benzoyl]piperidin-2-one is sourced from PubChem (CID 71368578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).