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

C14H23N5O3 — CID 141152827

IUPAC4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)NN2C=CC=NC2)CC1)NO
InChIInChI=1S/C14H23N5O3/c20-13(17-22)4-1-3-12-5-9-18(10-6-12)14(21)16-19-8-2-7-15-11-19/h2,7-8,12,22H,1,3-6,9-11H2,(H,16,21)(H,17,20)
InChIKeyAHTZTILNSLCURX-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.86
Rot. Bonds5

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

4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide (PubChem CID 141152827) has the molecular formula C14H23N5O3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide
PubChem CID141152827
Molecular FormulaC14H23N5O3
Molecular Weight309.37 g/mol
Exact Mass309.18
IUPAC Name4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide
SMILESO=C(CCCC1CCN(C(=O)NN2C=CC=NC2)CC1)NO
InChIInChI=1S/C14H23N5O3/c20-13(17-22)4-1-3-12-5-9-18(10-6-12)14(21)16-19-8-2-7-15-11-19/h2,7-8,12,22H,1,3-6,9-11H2,(H,16,21)(H,17,20)
InChIKeyAHTZTILNSLCURX-UHFFFAOYSA-N
XLogP0.86
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.86
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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Related Compounds

4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-ylmethyl)piperidine-1-carboxamide
CID 141152832
N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91356315
N-hydroxy-4-[1-(2-phenylacetyl)piperidin-4-yl]butanamide
CID 52918058
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
4-[4-(hydroxyamino)-4-oxobutyl]-N-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide
CID 91320954
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 11849005
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 142691662
N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11848263
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
N-(1,2-benzoxazol-3-ylmethyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 87748960
N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91222749

Frequently Asked Questions

What is the IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide (CID 141152827) is 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide is O=C(CCCC1CCN(C(=O)NN2C=CC=NC2)CC1)NO.
What is the InChIKey of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide?
The InChIKey is AHTZTILNSLCURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3/c20-13(17-22)4-1-3-12-5-9-18(10-6-12)14(21)16-19-8-2-7-15-11-19/h2,7-8,12,22H,1,3-6,9-11H2,(H,16,21)(H,17,20).
What are the key properties of 4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide?
4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 0.86, 5 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-yl)piperidine-1-carboxamide is sourced from PubChem (CID 141152827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).