N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

C14H21F3N4O2 — CID 71968520

IUPACN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCC(C(O)C(F)(F)F)CC2)cn1
InChIInChI=1S/C14H21F3N4O2/c1-20-9-10(8-19-20)2-5-18-13(23)21-6-3-11(4-7-21)12(22)14(15,16)17/h8-9,11-12,22H,2-7H2,1H3,(H,18,23)
InChIKeyUAYFXTILWCKUNC-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.31
Rot. Bonds4

About N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 71968520) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID71968520
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC NameN-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESCn1cc(CCNC(=O)N2CCC(C(O)C(F)(F)F)CC2)cn1
InChIInChI=1S/C14H21F3N4O2/c1-20-9-10(8-19-20)2-5-18-13(23)21-6-3-11(4-7-21)12(22)14(15,16)17/h8-9,11-12,22H,2-7H2,1H3,(H,18,23)
InChIKeyUAYFXTILWCKUNC-UHFFFAOYSA-N
XLogP1.31
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (CID 71968520) is N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is Cn1cc(CCNC(=O)N2CCC(C(O)C(F)(F)F)CC2)cn1.
What is the InChIKey of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is UAYFXTILWCKUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-20-9-10(8-19-20)2-5-18-13(23)21-6-3-11(4-7-21)12(22)14(15,16)17/h8-9,11-12,22H,2-7H2,1H3,(H,18,23).
What are the key properties of N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71968520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).