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

C19H25FN2O3 — CID 75390228

IUPACN-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC1(C2CCN(C(=O)NC3CC3c3ccccc3F)CC2)OCCO1
InChIInChI=1S/C19H25FN2O3/c1-19(24-10-11-25-19)13-6-8-22(9-7-13)18(23)21-17-12-15(17)14-4-2-3-5-16(14)20/h2-5,13,15,17H,6-12H2,1H3,(H,21,23)
InChIKeyXUMRTFFTKGEFHA-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.87
Rot. Bonds3

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

N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 75390228) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
PubChem CID75390228
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC NameN-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
SMILESCC1(C2CCN(C(=O)NC3CC3c3ccccc3F)CC2)OCCO1
InChIInChI=1S/C19H25FN2O3/c1-19(24-10-11-25-19)13-6-8-22(9-7-13)18(23)21-17-12-15(17)14-4-2-3-5-16(14)20/h2-5,13,15,17H,6-12H2,1H3,(H,21,23)
InChIKeyXUMRTFFTKGEFHA-UHFFFAOYSA-N
XLogP2.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 75390228) is N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is CC1(C2CCN(C(=O)NC3CC3c3ccccc3F)CC2)OCCO1.
What is the InChIKey of N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
The InChIKey is XUMRTFFTKGEFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-19(24-10-11-25-19)13-6-8-22(9-7-13)18(23)21-17-12-15(17)14-4-2-3-5-16(14)20/h2-5,13,15,17H,6-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?
N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)cyclopropyl]-4-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 75390228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).