N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide

C16H25N3O3S — CID 58418271

IUPACN-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(C)CC1)c1cc(C)c(C(=O)NO)s1
InChIInChI=1S/C16H25N3O3S/c1-4-12(13-9-10(2)14(23-13)16(21)18-22)17-15(20)11-5-7-19(3)8-6-11/h9,11-12,22H,4-8H2,1-3H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyHNWYAVGLSDZRNG-LBPRGKRZSA-N
MW339.46 g/mol
LogP2.08
Rot. Bonds5

About N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide

N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide (PubChem CID 58418271) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide
PubChem CID58418271
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide
SMILESCC[C@H](NC(=O)C1CCN(C)CC1)c1cc(C)c(C(=O)NO)s1
InChIInChI=1S/C16H25N3O3S/c1-4-12(13-9-10(2)14(23-13)16(21)18-22)17-15(20)11-5-7-19(3)8-6-11/h9,11-12,22H,4-8H2,1-3H3,(H,17,20)(H,18,21)/t12-/m0/s1
InChIKeyHNWYAVGLSDZRNG-LBPRGKRZSA-N
XLogP2.08
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.08
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 N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide (CID 58418271) is N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide is CC[C@H](NC(=O)C1CCN(C)CC1)c1cc(C)c(C(=O)NO)s1.
What is the InChIKey of N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is HNWYAVGLSDZRNG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-4-12(13-9-10(2)14(23-13)16(21)18-22)17-15(20)11-5-7-19(3)8-6-11/h9,11-12,22H,4-8H2,1-3H3,(H,17,20)(H,18,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide?
N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(hydroxycarbamoyl)-4-methylthiophen-2-yl]propyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 58418271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).