N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

C16H22F2N6O2 — CID 166256568

IUPACN-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccnc1C(O)C1CCCN(C(=O)Nc2cc(C(F)F)n(C)n2)C1
InChIInChI=1S/C16H22F2N6O2/c1-22-7-5-19-15(22)13(25)10-4-3-6-24(9-10)16(26)20-12-8-11(14(17)18)23(2)21-12/h5,7-8,10,13-14,25H,3-4,6,9H2,1-2H3,(H,20,21,26)
InChIKeyBEYJIASDRUCHLI-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.07
Rot. Bonds4

About N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide

N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 166256568) has the molecular formula C16H22F2N6O2 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
PubChem CID166256568
Molecular FormulaC16H22F2N6O2
Molecular Weight368.39 g/mol
Exact Mass368.18
IUPAC NameN-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccnc1C(O)C1CCCN(C(=O)Nc2cc(C(F)F)n(C)n2)C1
InChIInChI=1S/C16H22F2N6O2/c1-22-7-5-19-15(22)13(25)10-4-3-6-24(9-10)16(26)20-12-8-11(14(17)18)23(2)21-12/h5,7-8,10,13-14,25H,3-4,6,9H2,1-2H3,(H,20,21,26)
InChIKeyBEYJIASDRUCHLI-UHFFFAOYSA-N
XLogP2.07
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide (CID 166256568) is N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is Cn1ccnc1C(O)C1CCCN(C(=O)Nc2cc(C(F)F)n(C)n2)C1.
What is the InChIKey of N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is BEYJIASDRUCHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N6O2/c1-22-7-5-19-15(22)13(25)10-4-3-6-24(9-10)16(26)20-12-8-11(14(17)18)23(2)21-12/h5,7-8,10,13-14,25H,3-4,6,9H2,1-2H3,(H,20,21,26).
What are the key properties of N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide?
N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1-methylpyrazol-3-yl]-3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166256568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).