N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide

C16H19FN4O2 — CID 46958740

IUPACN-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide
SMILESCn1ccnc1C1(O)CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN4O2/c1-20-10-7-18-14(20)16(23)5-8-21(9-6-16)15(22)19-13-4-2-3-12(17)11-13/h2-4,7,10-11,23H,5-6,8-9H2,1H3,(H,19,22)
InChIKeyNUHGNTYJPDVAAL-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.07
Rot. Bonds2

About N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide

N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide (PubChem CID 46958740) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide
PubChem CID46958740
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC NameN-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide
SMILESCn1ccnc1C1(O)CCN(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN4O2/c1-20-10-7-18-14(20)16(23)5-8-21(9-6-16)15(22)19-13-4-2-3-12(17)11-13/h2-4,7,10-11,23H,5-6,8-9H2,1H3,(H,19,22)
InChIKeyNUHGNTYJPDVAAL-UHFFFAOYSA-N
XLogP2.07
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide (CID 46958740) is N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide is Cn1ccnc1C1(O)CCN(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is NUHGNTYJPDVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-20-10-7-18-14(20)16(23)5-8-21(9-6-16)15(22)19-13-4-2-3-12(17)11-13/h2-4,7,10-11,23H,5-6,8-9H2,1H3,(H,19,22).
What are the key properties of N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide?
N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 318.35 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-hydroxy-4-(1-methylimidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 46958740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).