N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide

C25H33N3O2 — CID 162640822

IUPACN-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
SMILESO=C(NO)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O2/c29-25(27-30)22-10-8-19(9-11-22)5-4-14-28-15-12-20(13-16-28)18-26-24-17-23(24)21-6-2-1-3-7-21/h1-3,6-11,20,23-24,26,30H,4-5,12-18H2,(H,27,29)/t23-,24+/m0/s1
InChIKeyHACUHRDPZRXYSI-BJKOFHAPSA-N
MW407.56 g/mol
LogP3.60
Rot. Bonds9

About N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide

N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide (PubChem CID 162640822) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
PubChem CID162640822
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
SMILESO=C(NO)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C25H33N3O2/c29-25(27-30)22-10-8-19(9-11-22)5-4-14-28-15-12-20(13-16-28)18-26-24-17-23(24)21-6-2-1-3-7-21/h1-3,6-11,20,23-24,26,30H,4-5,12-18H2,(H,27,29)/t23-,24+/m0/s1
InChIKeyHACUHRDPZRXYSI-BJKOFHAPSA-N
XLogP3.60
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propanoic acid
CID 66571126
N-hydroxy-4-[3-oxo-3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]prop-1-enyl]benzamide
CID 155143234
N-(2-aminophenyl)-4-[3-[4-[[[(1S,2R)-2-(1-phenylpyrazol-4-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide
CID 169179898
N-(2-amino-5-fluorophenyl)-4-[3-[4-[[[2-(4-fluorophenyl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752358
N-[2-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethylsulfamoylmethyl]benzamide
CID 174937674
N-hydroxy-4-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]sulfonylbenzamide;2,2,2-trifluoroacetic acid
CID 175752354
4-hydroxy-2-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]propyl]-1,3-thiazole-5-carboxamide
CID 175362326
N-(2-aminophenyl)-4-[3-[4-[[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752273
N-hydroxy-4-[3-[4-[[(2-phenylcyclopropyl)amino]methyl]pyrazol-1-yl]propyl]benzamide;2,2,2-trifluoroacetic acid
CID 175752265
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
4-[[4-[[[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzoic acid
CID 66571592
N-[4-[(1S,2R)-2-[(1-methylpiperidin-4-yl)methylamino]cyclopropyl]phenyl]benzamide
CID 70810946

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide?
The IUPAC name of N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide (CID 162640822) is N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide?
The canonical SMILES for N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide is O=C(NO)c1ccc(CCCN2CCC(CN[C@@H]3C[C@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide?
The InChIKey is HACUHRDPZRXYSI-BJKOFHAPSA-N. The full InChI is InChI=1S/C25H33N3O2/c29-25(27-30)22-10-8-19(9-11-22)5-4-14-28-15-12-20(13-16-28)18-26-24-17-23(24)21-6-2-1-3-7-21/h1-3,6-11,20,23-24,26,30H,4-5,12-18H2,(H,27,29)/t23-,24+/m0/s1.
What are the key properties of N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide?
N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide has a molecular weight of 407.56 g/mol, XLogP of 3.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[3-[4-[[[(1R,2S)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 162640822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).