N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride

C18H30ClN3O3 — CID 119771781

IUPACN-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCN(C(=O)[C@@H](N)CC(C)C)CC2)c(C)o1.Cl
InChIInChI=1S/C18H29N3O3.ClH/c1-11(2)9-16(19)18(23)21-7-5-14(6-8-21)20-17(22)15-10-12(3)24-13(15)4;/h10-11,14,16H,5-9,19H2,1-4H3,(H,20,22);1H/t16-;/m0./s1
InChIKeyXLYWQGPDHYKLDW-NTISSMGPSA-N
MW371.91 g/mol
LogP2.41
Rot. Bonds5

About N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride

N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride (PubChem CID 119771781) has the molecular formula C18H30ClN3O3 and a molecular weight of 371.91 g/mol. Its IUPAC name is N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
PubChem CID119771781
Molecular FormulaC18H30ClN3O3
Molecular Weight371.91 g/mol
Exact Mass371.20
IUPAC NameN-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCN(C(=O)[C@@H](N)CC(C)C)CC2)c(C)o1.Cl
InChIInChI=1S/C18H29N3O3.ClH/c1-11(2)9-16(19)18(23)21-7-5-14(6-8-21)20-17(22)15-10-12(3)24-13(15)4;/h10-11,14,16H,5-9,19H2,1-4H3,(H,20,22);1H/t16-;/m0./s1
InChIKeyXLYWQGPDHYKLDW-NTISSMGPSA-N
XLogP2.41
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
N-[1-(2-amino-2-phenylacetyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316682
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 119316694
2,5-dimethyl-N-[1-[2-(methylcarbamoylamino)acetyl]piperidin-4-yl]furan-3-carboxamide
CID 138995224
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947774
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylpropanamide
CID 61164143
N-[1-[2-(1-hydroxycyclopentyl)acetyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 111537911
N-[1-(3-aminobenzoyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 119771763
N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
N-[1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride
CID 120988801
N-[1-(2-methoxyethyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71784704
N-[1-(2-chloroprop-2-enyl)piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 71879738

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride (CID 119771781) is N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCN(C(=O)[C@@H](N)CC(C)C)CC2)c(C)o1.Cl.
What is the InChIKey of N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
The InChIKey is XLYWQGPDHYKLDW-NTISSMGPSA-N. The full InChI is InChI=1S/C18H29N3O3.ClH/c1-11(2)9-16(19)18(23)21-7-5-14(6-8-21)20-17(22)15-10-12(3)24-13(15)4;/h10-11,14,16H,5-9,19H2,1-4H3,(H,20,22);1H/t16-;/m0./s1.
What are the key properties of N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride?
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2,5-dimethylfuran-3-carboxamide;hydrochloride is sourced from PubChem (CID 119771781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).