(3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide

C19H27FN4O — CID 97205049

IUPAC(3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide
SMILESCCN1CCC[C@@](C)(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C19H27FN4O/c1-3-24-11-5-9-19(2,13-24)18(25)21-10-4-6-17-22-15-8-7-14(20)12-16(15)23-17/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,21,25)(H,22,23)/t19-/m1/s1
InChIKeyLUZMXFVNBHGPJA-LJQANCHMSA-N
MW346.45 g/mol
LogP2.87
Rot. Bonds6

About (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide

(3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide (PubChem CID 97205049) has the molecular formula C19H27FN4O and a molecular weight of 346.45 g/mol. Its IUPAC name is (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide
PubChem CID97205049
Molecular FormulaC19H27FN4O
Molecular Weight346.45 g/mol
Exact Mass346.22
IUPAC Name(3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide
SMILESCCN1CCC[C@@](C)(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C19H27FN4O/c1-3-24-11-5-9-19(2,13-24)18(25)21-10-4-6-17-22-15-8-7-14(20)12-16(15)23-17/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,21,25)(H,22,23)/t19-/m1/s1
InChIKeyLUZMXFVNBHGPJA-LJQANCHMSA-N
XLogP2.87
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-ethyl-3-methylpiperidine-3-carboxamide
CID 136861426
(3S)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 125007278
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-[3-(6-fluoro-1H-benzimidazol-2-yl)propanoyl]-3-methylpiperidine-3-carboxamide
CID 110085812
2-(dimethylcarbamoylamino)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]acetamide
CID 90650123
(3S)-1-ethyl-3-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 97186910
(3S)-1-ethyl-3-methyl-N-[2-(2H-triazol-4-yl)ethyl]piperidine-3-carboxamide
CID 126445765
2-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 118775456
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylsulfanylpropanamide
CID 91781034
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 162625615
(3R)-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]oxolane-3-carboxamide
CID 125179191
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 122568490
N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 125175720

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide (CID 97205049) is (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide is CCN1CCC[C@@](C)(C(=O)NCCCc2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is LUZMXFVNBHGPJA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27FN4O/c1-3-24-11-5-9-19(2,13-24)18(25)21-10-4-6-17-22-15-8-7-14(20)12-16(15)23-17/h7-8,12H,3-6,9-11,13H2,1-2H3,(H,21,25)(H,22,23)/t19-/m1/s1.
What are the key properties of (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide?
(3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethyl-N-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 97205049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).