N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide

C16H24FN3O3 — CID 119066622

IUPACN-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(CCOCCO)CC1
InChIInChI=1S/C16H24FN3O3/c17-15-4-2-1-3-14(15)13-18-16(22)20-7-5-19(6-8-20)9-11-23-12-10-21/h1-4,21H,5-13H2,(H,18,22)
InChIKeyVSLFJAVKMFYPJA-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.66
Rot. Bonds7

About N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide (PubChem CID 119066622) has the molecular formula C16H24FN3O3 and a molecular weight of 325.38 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
PubChem CID119066622
Molecular FormulaC16H24FN3O3
Molecular Weight325.38 g/mol
Exact Mass325.18
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1F)N1CCN(CCOCCO)CC1
InChIInChI=1S/C16H24FN3O3/c17-15-4-2-1-3-14(15)13-18-16(22)20-7-5-19(6-8-20)9-11-23-12-10-21/h1-4,21H,5-13H2,(H,18,22)
InChIKeyVSLFJAVKMFYPJA-UHFFFAOYSA-N
XLogP0.66
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113103771
N,4-bis[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534923
N-[(2-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113107783
N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
CID 108897499
(2,6-difluorophenyl)-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]methanone
CID 111439654
4-[2-(2-hydroxyethoxy)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 119058857
N-[(2-fluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 38946457
N-[(2-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27534875
N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
CID 119073232
N-[(2-chlorophenyl)methyl]-4-(2-methoxyethyl)piperazine-1-carboxamide
CID 113104911
4-cyclopentyl-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 38947749
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105421

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide (CID 119066622) is N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide is O=C(NCc1ccccc1F)N1CCN(CCOCCO)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is VSLFJAVKMFYPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O3/c17-15-4-2-1-3-14(15)13-18-16(22)20-7-5-19(6-8-20)9-11-23-12-10-21/h1-4,21H,5-13H2,(H,18,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[2-(2-hydroxyethoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 119066622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).