N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C15H17F2N5O2 — CID 75424926

IUPACN-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C15H17F2N5O2/c16-14(17)24-12-3-1-11(2-4-12)20-15(23)22-7-5-10(6-8-22)13-18-9-19-21-13/h1-4,9-10,14H,5-8H2,(H,20,23)(H,18,19,21)
InChIKeyLPMKJPBCIKVBSP-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.82
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 75424926) has the molecular formula C15H17F2N5O2 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID75424926
Molecular FormulaC15H17F2N5O2
Molecular Weight337.33 g/mol
Exact Mass337.14
IUPAC NameN-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C15H17F2N5O2/c16-14(17)24-12-3-1-11(2-4-12)20-15(23)22-7-5-10(6-8-22)13-18-9-19-21-13/h1-4,9-10,14H,5-8H2,(H,20,23)(H,18,19,21)
InChIKeyLPMKJPBCIKVBSP-UHFFFAOYSA-N
XLogP2.82
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 75424926) is N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is LPMKJPBCIKVBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O2/c16-14(17)24-12-3-1-11(2-4-12)20-15(23)22-7-5-10(6-8-22)13-18-9-19-21-13/h1-4,9-10,14H,5-8H2,(H,20,23)(H,18,19,21).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 337.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75424926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).