4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide

C21H25N3O3 — CID 58933512

IUPAC4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide
SMILESO=C(NCC1CN(C(=O)CCc2ccccc2)CCN1)c1ccc(O)cc1
InChIInChI=1S/C21H25N3O3/c25-19-9-7-17(8-10-19)21(27)23-14-18-15-24(13-12-22-18)20(26)11-6-16-4-2-1-3-5-16/h1-5,7-10,18,22,25H,6,11-15H2,(H,23,27)
InChIKeyXMNXMNUXGMIRMY-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.56
Rot. Bonds6

About 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide

4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide (PubChem CID 58933512) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide
PubChem CID58933512
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide
SMILESO=C(NCC1CN(C(=O)CCc2ccccc2)CCN1)c1ccc(O)cc1
InChIInChI=1S/C21H25N3O3/c25-19-9-7-17(8-10-19)21(27)23-14-18-15-24(13-12-22-18)20(26)11-6-16-4-2-1-3-5-16/h1-5,7-10,18,22,25H,6,11-15H2,(H,23,27)
InChIKeyXMNXMNUXGMIRMY-UHFFFAOYSA-N
XLogP1.56
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845
(3S)-3-ethyl-N-[4-(2-phenylethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 97283035
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369
tert-butyl (3R)-3-(benzamidomethyl)-4-benzylpiperazine-1-carboxylate;tert-butyl (3R)-3-(benzamidomethyl)piperazine-1-carboxylate;uranium
CID 161247983
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
4-methyl-N-[[1-(3-phenylpropyl)imidazolidin-4-yl]methyl]benzamide
CID 142177131
N-benzyl-4-(3-phenylpiperazine-1-carbonyl)benzamide
CID 135236329
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide?
The IUPAC name of 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide (CID 58933512) is 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide is O=C(NCC1CN(C(=O)CCc2ccccc2)CCN1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide?
The InChIKey is XMNXMNUXGMIRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19-9-7-17(8-10-19)21(27)23-14-18-15-24(13-12-22-18)20(26)11-6-16-4-2-1-3-5-16/h1-5,7-10,18,22,25H,6,11-15H2,(H,23,27).
What are the key properties of 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide?
4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[[4-(3-phenylpropanoyl)piperazin-2-yl]methyl]benzamide is sourced from PubChem (CID 58933512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).