N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide

C17H24FN3O2 — CID 113105421

IUPACN-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C17H24FN3O2/c18-16-6-2-1-4-14(16)12-19-17(22)21-9-7-20(8-10-21)13-15-5-3-11-23-15/h1-2,4,6,15H,3,5,7-13H2,(H,19,22)
InChIKeyZCAONUNTLPQVRE-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.83
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 113105421) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
PubChem CID113105421
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C17H24FN3O2/c18-16-6-2-1-4-14(16)12-19-17(22)21-9-7-20(8-10-21)13-15-5-3-11-23-15/h1-2,4,6,15H,3,5,7-13H2,(H,19,22)
InChIKeyZCAONUNTLPQVRE-UHFFFAOYSA-N
XLogP1.83
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
4-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 47014446
2-(2-fluorophenyl)-1-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122337007
N-[(2-fluorophenyl)methyl]-4-[3-[[(2R)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92760923
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
4-(oxolan-2-ylmethyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 75889826
(2,6-difluorophenyl)-[4-[[(2R)-oxan-2-yl]methyl]piperazin-1-yl]methanone
CID 95258451
N-[2-(4-chlorophenyl)ethyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 55770289
N-[3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 51151985
4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N-(1,3-benzodioxol-5-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 38265207

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide (CID 113105421) is N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is O=C(NCc1ccccc1F)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is ZCAONUNTLPQVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-16-6-2-1-4-14(16)12-19-17(22)21-9-7-20(8-10-21)13-15-5-3-11-23-15/h1-2,4,6,15H,3,5,7-13H2,(H,19,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).