N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide

C24H31N3O3 — CID 87233721

IUPACN-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide
SMILESCC(C)C[C@H](CN(O)C=O)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-19(2)16-22(17-27(30)18-28)24(29)26-14-12-25(13-15-26)23-10-8-21(9-11-23)20-6-4-3-5-7-20/h3-11,18-19,22,30H,12-17H2,1-2H3/t22-/m1/s1
InChIKeyNRNMEPJQMFIAOB-JOCHJYFZSA-N
MW409.53 g/mol
LogP3.51
Rot. Bonds8

About N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide

N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide (PubChem CID 87233721) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide
PubChem CID87233721
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide
SMILESCC(C)C[C@H](CN(O)C=O)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C24H31N3O3/c1-19(2)16-22(17-27(30)18-28)24(29)26-14-12-25(13-15-26)23-10-8-21(9-11-23)20-6-4-3-5-7-20/h3-11,18-19,22,30H,12-17H2,1-2H3/t22-/m1/s1
InChIKeyNRNMEPJQMFIAOB-JOCHJYFZSA-N
XLogP3.51
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[(2S)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4-methylpentyl]-N-phenylmethoxyformamide
CID 59840877
N-[4-[4-(2-ethylbutanoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 1055877
1-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methyl-2-[(phenylmethoxyamino)methyl]pentan-1-one
CID 73316785
3-methyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873770
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 79195732
3-[methyl-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]amino]propanoic acid
CID 119912257
1-(4-phenylphenyl)aziridine
CID 152682568
2-methyl-3-(methylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119826867
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
methyl 4-methyl-2-[(4-phenylpiperazine-1-carbonyl)amino]pentanoate
CID 3938457

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide?
The IUPAC name of N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide (CID 87233721) is N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide.
What is the SMILES notation for N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide?
The canonical SMILES for N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide is CC(C)C[C@H](CN(O)C=O)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide?
The InChIKey is NRNMEPJQMFIAOB-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19(2)16-22(17-27(30)18-28)24(29)26-14-12-25(13-15-26)23-10-8-21(9-11-23)20-6-4-3-5-7-20/h3-11,18-19,22,30H,12-17H2,1-2H3/t22-/m1/s1.
What are the key properties of N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide?
N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide has a molecular weight of 409.53 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[(2R)-4-methyl-2-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentyl]formamide is sourced from PubChem (CID 87233721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).