2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

C18H28N6O4 — CID 87356436

IUPAC2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
SMILESNC(=O)C1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1
InChIInChI=1S/C18H28N6O4/c19-16(26)13-6-9-24(10-7-13)18-21-11-14(12-22-18)17(27)20-8-4-2-1-3-5-15(25)23-28/h11-13,28H,1-10H2,(H2,19,26)(H,20,27)(H,23,25)
InChIKeyZAOCGWQOQOSCFO-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.36
Rot. Bonds10

About 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide

2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide (PubChem CID 87356436) has the molecular formula C18H28N6O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
PubChem CID87356436
Molecular FormulaC18H28N6O4
Molecular Weight392.46 g/mol
Exact Mass392.22
IUPAC Name2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide
SMILESNC(=O)C1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1
InChIInChI=1S/C18H28N6O4/c19-16(26)13-6-9-24(10-7-13)18-21-11-14(12-22-18)17(27)20-8-4-2-1-3-5-15(25)23-28/h11-13,28H,1-10H2,(H2,19,26)(H,20,27)(H,23,25)
InChIKeyZAOCGWQOQOSCFO-UHFFFAOYSA-N
XLogP0.36
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide (CID 87356436) is 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide is NC(=O)C1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1.
What is the InChIKey of 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide?
The InChIKey is ZAOCGWQOQOSCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O4/c19-16(26)13-6-9-24(10-7-13)18-21-11-14(12-22-18)17(27)20-8-4-2-1-3-5-15(25)23-28/h11-13,28H,1-10H2,(H2,19,26)(H,20,27)(H,23,25).
What are the key properties of 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide?
2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 0.36, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylpiperidin-1-yl)-N-[7-(hydroxyamino)-7-oxoheptyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 87356436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).