N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide

C51H54N6O7 — CID 159718507

IUPACN-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide
SMILESO=C(NO)c1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1.O=C(NOC1CCCCO1)c1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C28H31N3O4.C23H23N3O3/c32-27(23-9-8-20-5-1-2-6-22(20)19-23)29-24-14-16-31(17-15-24)25-12-10-21(11-13-25)28(33)30-35-26-7-3-4-18-34-26;27-22(19-6-5-16-3-1-2-4-18(16)15-19)24-20-11-13-26(14-12-20)21-9-7-17(8-10-21)23(28)25-29/h1-2,5-6,8-13,19,24,26H,3-4,7,14-18H2,(H,29,32)(H,30,33);1-10,15,20,29H,11-14H2,(H,24,27)(H,25,28)
InChIKeyMZSSABLBSXEMJU-UHFFFAOYSA-N
MW863.03 g/mol
LogP7.78
Rot. Bonds10

About N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide

N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide (PubChem CID 159718507) has the molecular formula C51H54N6O7 and a molecular weight of 863.03 g/mol. Its IUPAC name is N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide
PubChem CID159718507
Molecular FormulaC51H54N6O7
Molecular Weight863.03 g/mol
Exact Mass862.41
IUPAC NameN-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide
SMILESO=C(NO)c1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1.O=C(NOC1CCCCO1)c1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1
InChIInChI=1S/C28H31N3O4.C23H23N3O3/c32-27(23-9-8-20-5-1-2-6-22(20)19-23)29-24-14-16-31(17-15-24)25-12-10-21(11-13-25)28(33)30-35-26-7-3-4-18-34-26;27-22(19-6-5-16-3-1-2-4-18(16)15-19)24-20-11-13-26(14-12-20)21-9-7-17(8-10-21)23(28)25-29/h1-2,5-6,8-13,19,24,26H,3-4,7,14-18H2,(H,29,32)(H,30,33);1-10,15,20,29H,11-14H2,(H,24,27)(H,25,28)
InChIKeyMZSSABLBSXEMJU-UHFFFAOYSA-N
XLogP7.78
TPSA161.57 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.03
LogP ≤ 57.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide (CID 159718507) is N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide is O=C(NO)c1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1.O=C(NOC1CCCCO1)c1ccc(N2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1.
What is the InChIKey of N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide?
The InChIKey is MZSSABLBSXEMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4.C23H23N3O3/c32-27(23-9-8-20-5-1-2-6-22(20)19-23)29-24-14-16-31(17-15-24)25-12-10-21(11-13-25)28(33)30-35-26-7-3-4-18-34-26;27-22(19-6-5-16-3-1-2-4-18(16)15-19)24-20-11-13-26(14-12-20)21-9-7-17(8-10-21)23(28)25-29/h1-2,5-6,8-13,19,24,26H,3-4,7,14-18H2,(H,29,32)(H,30,33);1-10,15,20,29H,11-14H2,(H,24,27)(H,25,28).
What are the key properties of N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide?
N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide has a molecular weight of 863.03 g/mol, XLogP of 7.78, 10 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(hydroxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide;N-[1-[4-(oxan-2-yloxycarbamoyl)phenyl]piperidin-4-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 159718507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).