(2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide

C29H33N3O5 — CID 87360266

IUPAC(2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide
SMILESO=C(NO)[C@H](O)[C@H](CCOCc1ccccc1)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C29H33N3O5/c33-27(28(34)30-36)26(15-20-37-21-22-7-3-1-4-8-22)29(35)32-18-16-31(17-19-32)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1-14,26-27,33,36H,15-21H2,(H,30,34)/t26-,27+/m0/s1
InChIKeyQTZSEZPLRZEBOU-RRPNLBNLSA-N
MW503.60 g/mol
LogP3.09
Rot. Bonds10

About (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide

(2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide (PubChem CID 87360266) has the molecular formula C29H33N3O5 and a molecular weight of 503.60 g/mol. Its IUPAC name is (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide.

Molecular Properties

Compound Name(2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide
PubChem CID87360266
Molecular FormulaC29H33N3O5
Molecular Weight503.60 g/mol
Exact Mass503.24
IUPAC Name(2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide
SMILESO=C(NO)[C@H](O)[C@H](CCOCc1ccccc1)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C29H33N3O5/c33-27(28(34)30-36)26(15-20-37-21-22-7-3-1-4-8-22)29(35)32-18-16-31(17-19-32)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1-14,26-27,33,36H,15-21H2,(H,30,34)/t26-,27+/m0/s1
InChIKeyQTZSEZPLRZEBOU-RRPNLBNLSA-N
XLogP3.09
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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

(2R,3S)-3-[4-[4-[(3E)-hexa-1,3,5-trien-3-yl]phenyl]piperazine-1-carbonyl]-2-hydroxy-5-phenylmethoxypentanamide
CID 143172681
(2S,3S)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N,2-dihydroxy-5-methylhexanamide
CID 87404400
(2S,3R)-3-(4-benzylpiperazine-1-carbonyl)-6-(4-ethoxyphenyl)-N,2-dihydroxyhexanamide
CID 11547288
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
N-[(2R)-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-(4-phenylphenyl)piperazine-1-carboxamide
CID 53318298
ethyl 4-[(2S)-2-amino-4-phenylmethoxybutanoyl]piperazine-1-carboxylate
CID 66856329
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
1-(4-phenylphenyl)aziridine
CID 152682568
methyl 3-hydroxy-2-(2-phenylmethoxyethyl)pentanoate
CID 134539051
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
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide?
The IUPAC name of (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide (CID 87360266) is (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide.
What is the SMILES notation for (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide?
The canonical SMILES for (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide is O=C(NO)[C@H](O)[C@H](CCOCc1ccccc1)C(=O)N1CCN(c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide?
The InChIKey is QTZSEZPLRZEBOU-RRPNLBNLSA-N. The full InChI is InChI=1S/C29H33N3O5/c33-27(28(34)30-36)26(15-20-37-21-22-7-3-1-4-8-22)29(35)32-18-16-31(17-19-32)25-13-11-24(12-14-25)23-9-5-2-6-10-23/h1-14,26-27,33,36H,15-21H2,(H,30,34)/t26-,27+/m0/s1.
What are the key properties of (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide?
(2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide has a molecular weight of 503.60 g/mol, XLogP of 3.09, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dihydroxy-5-phenylmethoxy-3-[4-(4-phenylphenyl)piperazine-1-carbonyl]pentanamide is sourced from PubChem (CID 87360266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).