N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

C21H29N5O3 — CID 142691662

IUPACN-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C21H29N5O3/c1-14-20(15(2)24-23-14)17-6-8-18(9-7-17)22-21(28)26-12-10-16(11-13-26)4-3-5-19(27)25-29/h6-9,16,29H,3-5,10-13H2,1-2H3,(H,22,28)(H,23,24)(H,25,27)
InChIKeyIRCBYFRDEYHLDX-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.61
Rot. Bonds6

About N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide

N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (PubChem CID 142691662) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
PubChem CID142691662
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
SMILESCc1n[nH]c(C)c1-c1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1
InChIInChI=1S/C21H29N5O3/c1-14-20(15(2)24-23-14)17-6-8-18(9-7-17)22-21(28)26-12-10-16(11-13-26)4-3-5-19(27)25-29/h6-9,16,29H,3-5,10-13H2,1-2H3,(H,22,28)(H,23,24)(H,25,27)
InChIKeyIRCBYFRDEYHLDX-UHFFFAOYSA-N
XLogP3.61
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-(4-pyridin-2-ylphenyl)piperidine-1-carboxamide
CID 91320954
N-(4-aminophenyl)-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91356315
N-[4-[2-(diethylamino)ethyl]phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11848263
4-[4-(hydroxyamino)-4-oxobutyl]-N-pyridin-3-ylpiperidine-1-carboxamide
CID 11849007
N-[2-[3-(dimethylamino)propyl]-3H-benzimidazol-5-yl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 91222749
4-[4-(hydroxyamino)-4-oxobutyl]-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 87747906
2-amino-3,3-dicyclopropyl-N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]prop-2-enamide;dihydrochloride
CID 154944164
4-[4-(hydroxyamino)-4-oxobutyl]-N-(2H-pyrimidin-1-yl)piperidine-1-carboxamide
CID 141152827
N-[[4-(dimethylamino)phenyl]methyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide
CID 11849011
4-(methylaminomethyl)-N-(4-methylphenyl)piperidine-1-carboxamide
CID 63248764
4-cyclohexyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399158
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide (CID 142691662) is N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is Cc1n[nH]c(C)c1-c1ccc(NC(=O)N2CCC(CCCC(=O)NO)CC2)cc1.
What is the InChIKey of N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
The InChIKey is IRCBYFRDEYHLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-14-20(15(2)24-23-14)17-6-8-18(9-7-17)22-21(28)26-12-10-16(11-13-26)4-3-5-19(27)25-29/h6-9,16,29H,3-5,10-13H2,1-2H3,(H,22,28)(H,23,24)(H,25,27).
What are the key properties of N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide?
N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 3.61, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]-4-[4-(hydroxyamino)-4-oxobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 142691662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).