4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide

C15H25N5O3 — CID 141152832

IUPAC4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)NCN2C=CC=NC2)CC1)NO
InChIInChI=1S/C15H25N5O3/c21-14(18-23)4-1-3-13-5-9-20(10-6-13)15(22)17-12-19-8-2-7-16-11-19/h2,7-8,13,23H,1,3-6,9-12H2,(H,17,22)(H,18,21)
InChIKeyNZDLJMMPPWHKCK-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.90
Rot. Bonds6

About 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide

4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 141152832) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide
PubChem CID141152832
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)NCN2C=CC=NC2)CC1)NO
InChIInChI=1S/C15H25N5O3/c21-14(18-23)4-1-3-13-5-9-20(10-6-13)15(22)17-12-19-8-2-7-16-11-19/h2,7-8,13,23H,1,3-6,9-12H2,(H,17,22)(H,18,21)
InChIKeyNZDLJMMPPWHKCK-UHFFFAOYSA-N
XLogP0.90
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide (CID 141152832) is 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide is O=C(CCCC1CCN(C(=O)NCN2C=CC=NC2)CC1)NO.
What is the InChIKey of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is NZDLJMMPPWHKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c21-14(18-23)4-1-3-13-5-9-20(10-6-13)15(22)17-12-19-8-2-7-16-11-19/h2,7-8,13,23H,1,3-6,9-12H2,(H,17,22)(H,18,21).
What are the key properties of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide?
4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 141152832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).