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

C23H29N3O2 — CID 162674105

IUPACN-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c27-23(25-28)20-8-6-18(7-9-20)16-26-12-10-17(11-13-26)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24,28H,10-16H2,(H,25,27)/t21-,22+/m1/s1
InChIKeyUMCMUHXVQOVKIH-YADHBBJMSA-N
MW379.50 g/mol
LogP3.16
Rot. Bonds7

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

N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide (PubChem CID 162674105) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
PubChem CID162674105
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O2/c27-23(25-28)20-8-6-18(7-9-20)16-26-12-10-17(11-13-26)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24,28H,10-16H2,(H,25,27)/t21-,22+/m1/s1
InChIKeyUMCMUHXVQOVKIH-YADHBBJMSA-N
XLogP3.16
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.16
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

AR-M1000390
CID 9841259
N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
CID 137553162
CID 137553162
N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3,4'-dicarboxamide
CID 24856363
Azd-5213
CID 53342708
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
N-(2-(1-benzylpiperidin-4-yl)ethyl)benzamide
CID 14783860
N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methylbenzamide
CID 14783863
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-formylbenzamide hydrochloride
CID 14783873
3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CID 71680913
4-[(R)-(S)-8-Aza-bicyclo[3.2.1]oct-(3Z)-ylidene-phenyl-methyl]-N,N-diethyl-benzamide
CID 9820950

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide (CID 162674105) is N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide is O=C(NO)c1ccc(CN2CCC(CN[C@H]3C[C@@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide?
The InChIKey is UMCMUHXVQOVKIH-YADHBBJMSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-23(25-28)20-8-6-18(7-9-20)16-26-12-10-17(11-13-26)15-24-22-14-21(22)19-4-2-1-3-5-19/h1-9,17,21-22,24,28H,10-16H2,(H,25,27)/t21-,22+/m1/s1.
What are the key properties of N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide?
N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[4-[[[(1S,2R)-2-phenylcyclopropyl]amino]methyl]piperidin-1-yl]methyl]benzamide is sourced from PubChem (CID 162674105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).