N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C22H32N2O3 — CID 58055301

IUPACN-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)N1CCC(C)(C(=O)Cc2ccc3c(c2)CC(C(=O)NO)CC3)CC1
InChIInChI=1S/C22H32N2O3/c1-15(2)24-10-8-22(3,9-11-24)20(25)13-16-4-5-17-6-7-18(21(26)23-27)14-19(17)12-16/h4-5,12,15,18,27H,6-11,13-14H2,1-3H3,(H,23,26)
InChIKeyZZWKLROLMHYMSU-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.92
Rot. Bonds5

About N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 58055301) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID58055301
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC NameN-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(C)N1CCC(C)(C(=O)Cc2ccc3c(c2)CC(C(=O)NO)CC3)CC1
InChIInChI=1S/C22H32N2O3/c1-15(2)24-10-8-22(3,9-11-24)20(25)13-16-4-5-17-6-7-18(21(26)23-27)14-19(17)12-16/h4-5,12,15,18,27H,6-11,13-14H2,1-3H3,(H,23,26)
InChIKeyZZWKLROLMHYMSU-UHFFFAOYSA-N
XLogP2.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 58055301) is N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(C)N1CCC(C)(C(=O)Cc2ccc3c(c2)CC(C(=O)NO)CC3)CC1.
What is the InChIKey of N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is ZZWKLROLMHYMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-15(2)24-10-8-22(3,9-11-24)20(25)13-16-4-5-17-6-7-18(21(26)23-27)14-19(17)12-16/h4-5,12,15,18,27H,6-11,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[2-(4-methyl-1-propan-2-ylpiperidin-4-yl)-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 58055301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).