N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide

C31H40N4O3 — CID 11399442

IUPACN-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide
SMILESCC(NC(=O)N(CCCCCCC(=O)NO)c1ccc(N2CCCCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C31H40N4O3/c1-24(28-15-11-13-25-12-6-7-14-29(25)28)32-31(37)35(23-10-3-2-5-16-30(36)33-38)27-19-17-26(18-20-27)34-21-8-4-9-22-34/h6-7,11-15,17-20,24,38H,2-5,8-10,16,21-23H2,1H3,(H,32,37)(H,33,36)
InChIKeyHBAQUOROHULUQD-UHFFFAOYSA-N
MW516.69 g/mol
LogP6.56
Rot. Bonds11

About N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide

N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide (PubChem CID 11399442) has the molecular formula C31H40N4O3 and a molecular weight of 516.69 g/mol. Its IUPAC name is N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide
PubChem CID11399442
Molecular FormulaC31H40N4O3
Molecular Weight516.69 g/mol
Exact Mass516.31
IUPAC NameN-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide
SMILESCC(NC(=O)N(CCCCCCC(=O)NO)c1ccc(N2CCCCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C31H40N4O3/c1-24(28-15-11-13-25-12-6-7-14-29(25)28)32-31(37)35(23-10-3-2-5-16-30(36)33-38)27-19-17-26(18-20-27)34-21-8-4-9-22-34/h6-7,11-15,17-20,24,38H,2-5,8-10,16,21-23H2,1H3,(H,32,37)(H,33,36)
InChIKeyHBAQUOROHULUQD-UHFFFAOYSA-N
XLogP6.56
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.69
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[7-(hydroxyamino)-7-oxoheptyl]-N-(4-piperidin-1-ylphenyl)cyclohexanecarboxamide
CID 142976567
N-(1-naphthalen-1-ylethyl)tetradecanamide
CID 86181225
5-hydroxy-N-(1-naphthalen-1-ylethyl)pentanamide
CID 79199719
N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
CID 59561797
1-ethyl-1-(3-morpholin-4-ylpropyl)-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 71056228
3-(N-acetyl-4-piperidin-1-ylanilino)-N-benzylpropanamide
CID 113132055
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
7-[N-(benzylcarbamoyl)-4-methoxyanilino]-N-hydroxyheptanamide
CID 11372956
4-chloro-N-methylcyclohepta-1,5-dien-1-amine;N-hydroxy-7-(N-methyl-4-piperidin-1-ylanilino)heptanamide
CID 142976511
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
1-methyl-1-[(1R)-1-naphthalen-1-ylethyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
CID 101424575
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide?
The IUPAC name of N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide (CID 11399442) is N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide?
The canonical SMILES for N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide is CC(NC(=O)N(CCCCCCC(=O)NO)c1ccc(N2CCCCC2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide?
The InChIKey is HBAQUOROHULUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N4O3/c1-24(28-15-11-13-25-12-6-7-14-29(25)28)32-31(37)35(23-10-3-2-5-16-30(36)33-38)27-19-17-26(18-20-27)34-21-8-4-9-22-34/h6-7,11-15,17-20,24,38H,2-5,8-10,16,21-23H2,1H3,(H,32,37)(H,33,36).
What are the key properties of N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide?
N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide has a molecular weight of 516.69 g/mol, XLogP of 6.56, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[N-(1-naphthalen-1-ylethylcarbamoyl)-4-piperidin-1-ylanilino]heptanamide is sourced from PubChem (CID 11399442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).