N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

C18H25FN2O3 — CID 75390213

IUPACN-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC1(C2CCN(C(=O)NCCc3cccc(F)c3)CC2)OCCO1
InChIInChI=1S/C18H25FN2O3/c1-18(23-11-12-24-18)15-6-9-21(10-7-15)17(22)20-8-5-14-3-2-4-16(19)13-14/h2-4,13,15H,5-12H2,1H3,(H,20,22)
InChIKeyOKIKAVSIPPGLDK-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.55
Rot. Bonds4

About N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 75390213) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID75390213
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC NameN-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC1(C2CCN(C(=O)NCCc3cccc(F)c3)CC2)OCCO1
InChIInChI=1S/C18H25FN2O3/c1-18(23-11-12-24-18)15-6-9-21(10-7-15)17(22)20-8-5-14-3-2-4-16(19)13-14/h2-4,13,15H,5-12H2,1H3,(H,20,22)
InChIKeyOKIKAVSIPPGLDK-UHFFFAOYSA-N
XLogP2.55
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 75390213) is N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is CC1(C2CCN(C(=O)NCCc3cccc(F)c3)CC2)OCCO1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is OKIKAVSIPPGLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-18(23-11-12-24-18)15-6-9-21(10-7-15)17(22)20-8-5-14-3-2-4-16(19)13-14/h2-4,13,15H,5-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)ethyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75390213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).