N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide

C25H34N6O4 — CID 88903970

IUPACN-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide
SMILESC[C@H](N)[C@@H](NC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)CC1)C(=O)NO
InChIInChI=1S/C25H34N6O4/c1-18(26)23(24(32)28-34)27-25(33)31-12-10-29(11-13-31)21-6-2-19(3-7-21)20-4-8-22(9-5-20)30-14-16-35-17-15-30/h2-9,18,23,34H,10-17,26H2,1H3,(H,27,33)(H,28,32)/t18-,23+/m0/s1
InChIKeyMZLBXPCYXOGUEG-FDDCHVKYSA-N
MW482.59 g/mol
LogP1.24
Rot. Bonds6

About N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide

N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide (PubChem CID 88903970) has the molecular formula C25H34N6O4 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide
PubChem CID88903970
Molecular FormulaC25H34N6O4
Molecular Weight482.59 g/mol
Exact Mass482.26
IUPAC NameN-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide
SMILESC[C@H](N)[C@@H](NC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)CC1)C(=O)NO
InChIInChI=1S/C25H34N6O4/c1-18(26)23(24(32)28-34)27-25(33)31-12-10-29(11-13-31)21-6-2-19(3-7-21)20-4-8-22(9-5-20)30-14-16-35-17-15-30/h2-9,18,23,34H,10-17,26H2,1H3,(H,27,33)(H,28,32)/t18-,23+/m0/s1
InChIKeyMZLBXPCYXOGUEG-FDDCHVKYSA-N
XLogP1.24
TPSA123.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 51.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide (CID 88903970) is N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide is C[C@H](N)[C@@H](NC(=O)N1CCN(c2ccc(-c3ccc(N4CCOCC4)cc3)cc2)CC1)C(=O)NO.
What is the InChIKey of N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide?
The InChIKey is MZLBXPCYXOGUEG-FDDCHVKYSA-N. The full InChI is InChI=1S/C25H34N6O4/c1-18(26)23(24(32)28-34)27-25(33)31-12-10-29(11-13-31)21-6-2-19(3-7-21)20-4-8-22(9-5-20)30-14-16-35-17-15-30/h2-9,18,23,34H,10-17,26H2,1H3,(H,27,33)(H,28,32)/t18-,23+/m0/s1.
What are the key properties of N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide?
N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide has a molecular weight of 482.59 g/mol, XLogP of 1.24, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-3-amino-1-(hydroxyamino)-1-oxobutan-2-yl]-4-[4-(4-morpholin-4-ylphenyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 88903970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).