N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide

C27H35N5O5 — CID 75600381

IUPACN-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide
SMILESO=C(NCC(C(=O)NO)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C27H35N5O5/c33-25(21-6-8-23(9-7-21)37-19-20-10-12-28-13-11-20)29-18-24(26(34)30-36)31-14-16-32(17-15-31)27(35)22-4-2-1-3-5-22/h1-9,20,24,28,36H,10-19H2,(H,29,33)(H,30,34)
InChIKeyRCFJGBJYLWCXJI-UHFFFAOYSA-N
MW509.61 g/mol
LogP1.13
Rot. Bonds9

About N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide

N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide (PubChem CID 75600381) has the molecular formula C27H35N5O5 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide
PubChem CID75600381
Molecular FormulaC27H35N5O5
Molecular Weight509.61 g/mol
Exact Mass509.26
IUPAC NameN-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide
SMILESO=C(NCC(C(=O)NO)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C27H35N5O5/c33-25(21-6-8-23(9-7-21)37-19-20-10-12-28-13-11-20)29-18-24(26(34)30-36)31-14-16-32(17-15-31)27(35)22-4-2-1-3-5-22/h1-9,20,24,28,36H,10-19H2,(H,29,33)(H,30,34)
InChIKeyRCFJGBJYLWCXJI-UHFFFAOYSA-N
XLogP1.13
TPSA123.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.61
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-3-amino-2-(4-benzoylpiperazin-1-yl)-2-hydroxy-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide
CID 67056889
N-[3-(hydroxyamino)-3-oxo-2-(4-propan-2-ylsulfonylpiperazin-1-yl)propyl]-4-[(1-methylpiperidin-4-yl)methoxy]benzamide
CID 75600338
N-[(2S)-3-(hydroxyamino)-2-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 51030462
4-[(4-cyanophenyl)methoxy]-N-[3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
CID 75602043
phenyl-[4-[4-[[(3S)-piperidin-3-yl]methoxy]phenyl]piperazin-1-yl]methanone
CID 68700958
4-but-2-ynoxy-N-[(2S)-3-(hydroxyamino)-3-oxo-2-piperidin-1-ylpropyl]benzamide
CID 50990949
[4-(cyclohexylmethoxy)phenyl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119418066
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119683440
4-[[1-(4-methylbenzoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150590
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-butoxybenzamide
CID 46653980
4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide (CID 75600381) is N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide is O=C(NCC(C(=O)NO)N1CCN(C(=O)c2ccccc2)CC1)c1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide?
The InChIKey is RCFJGBJYLWCXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O5/c33-25(21-6-8-23(9-7-21)37-19-20-10-12-28-13-11-20)29-18-24(26(34)30-36)31-14-16-32(17-15-31)27(35)22-4-2-1-3-5-22/h1-9,20,24,28,36H,10-19H2,(H,29,33)(H,30,34).
What are the key properties of N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide?
N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide has a molecular weight of 509.61 g/mol, XLogP of 1.13, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoylpiperazin-1-yl)-3-(hydroxyamino)-3-oxopropyl]-4-(piperidin-4-ylmethoxy)benzamide is sourced from PubChem (CID 75600381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).