4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide

C27H43N3O2 — CID 174597039

IUPAC4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(N2CCC(CNCC3CCC(CC4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C27H43N3O2/c31-27(29-32)25-10-12-26(13-11-25)30-16-14-24(15-17-30)20-28-19-23-8-6-22(7-9-23)18-21-4-2-1-3-5-21/h10-13,21-24,28,32H,1-9,14-20H2,(H,29,31)
InChIKeyOBXORWNTIVEYGG-UHFFFAOYSA-N
MW441.66 g/mol
LogP5.39
Rot. Bonds8

About 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide

4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide (PubChem CID 174597039) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 g/mol. Its IUPAC name is 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide
PubChem CID174597039
Molecular FormulaC27H43N3O2
Molecular Weight441.66 g/mol
Exact Mass441.34
IUPAC Name4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(N2CCC(CNCC3CCC(CC4CCCCC4)CC3)CC2)cc1
InChIInChI=1S/C27H43N3O2/c31-27(29-32)25-10-12-26(13-11-25)30-16-14-24(15-17-30)20-28-19-23-8-6-22(7-9-23)18-21-4-2-1-3-5-21/h10-13,21-24,28,32H,1-9,14-20H2,(H,29,31)
InChIKeyOBXORWNTIVEYGG-UHFFFAOYSA-N
XLogP5.39
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 55.39
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'}

Analyze 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide with MolForge

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Related Compounds

N-cyclopentyl-4-[4-(hydroxymethyl)piperidin-1-yl]benzamide
CID 166847333
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
N-hydroxy-4-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 11231850
methyl (2S)-2-cyclohexyl-2-[[4-[[[1-[5-(hydroxycarbamoyl)pyrimidin-2-yl]piperidin-4-yl]methylamino]methyl]cyclohexyl]methylamino]acetate
CID 89006777
N-cyclopropyl-4-piperidin-1-ylbenzamide
CID 21368345
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
4-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)benzamide
CID 2666739
4-pyrrolidin-1-ylbenzohydrazide;hydrochloride
CID 163230065
N-piperidin-1-ylformamide;1-(4-propanoylphenyl)piperidine-4-carboxylic acid
CID 174891882

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide?
The IUPAC name of 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide (CID 174597039) is 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide?
The canonical SMILES for 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide is O=C(NO)c1ccc(N2CCC(CNCC3CCC(CC4CCCCC4)CC3)CC2)cc1.
What is the InChIKey of 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide?
The InChIKey is OBXORWNTIVEYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N3O2/c31-27(29-32)25-10-12-26(13-11-25)30-16-14-24(15-17-30)20-28-19-23-8-6-22(7-9-23)18-21-4-2-1-3-5-21/h10-13,21-24,28,32H,1-9,14-20H2,(H,29,31).
What are the key properties of 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide?
4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide has a molecular weight of 441.66 g/mol, XLogP of 5.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[4-(cyclohexylmethyl)cyclohexyl]methylamino]methyl]piperidin-1-yl]-N-hydroxybenzamide is sourced from PubChem (CID 174597039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).