N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C21H24N6O3 — CID 164617245

IUPACN-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NO)C1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C21H24N6O3/c28-20(25-17(21(29)26-30)12-14-4-2-1-3-5-14)15-7-10-27(11-8-15)19-16-6-9-22-18(16)23-13-24-19/h1-6,9,13,15,17,30H,7-8,10-12H2,(H,25,28)(H,26,29)(H,22,23,24)/t17-/m1/s1
InChIKeyRUGGJLUQAMBJLC-QGZVFWFLSA-N
MW408.46 g/mol
LogP1.41
Rot. Bonds6

About N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 164617245) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID164617245
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC NameN-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(N[C@H](Cc1ccccc1)C(=O)NO)C1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C21H24N6O3/c28-20(25-17(21(29)26-30)12-14-4-2-1-3-5-14)15-7-10-27(11-8-15)19-16-6-9-22-18(16)23-13-24-19/h1-6,9,13,15,17,30H,7-8,10-12H2,(H,25,28)(H,26,29)(H,22,23,24)/t17-/m1/s1
InChIKeyRUGGJLUQAMBJLC-QGZVFWFLSA-N
XLogP1.41
TPSA123.24 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 164617245) is N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is O=C(N[C@H](Cc1ccccc1)C(=O)NO)C1CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is RUGGJLUQAMBJLC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24N6O3/c28-20(25-17(21(29)26-30)12-14-4-2-1-3-5-14)15-7-10-27(11-8-15)19-16-6-9-22-18(16)23-13-24-19/h1-6,9,13,15,17,30H,7-8,10-12H2,(H,25,28)(H,26,29)(H,22,23,24)/t17-/m1/s1.
What are the key properties of N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(hydroxyamino)-1-oxo-3-phenylpropan-2-yl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 164617245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).