N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide

C18H21FN4O2 — CID 140578150

IUPACN-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
SMILESCc1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1F
InChIInChI=1S/C18H21FN4O2/c1-13-4-5-14(11-16(13)19)17(25-15-3-2-6-21-12-15)22-18(24)23-9-7-20-8-10-23/h2-6,11-12,17,20H,7-10H2,1H3,(H,22,24)
InChIKeyUIWHAPKABWEXNU-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.22
Rot. Bonds4

About N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide

N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide (PubChem CID 140578150) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
PubChem CID140578150
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide
SMILESCc1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1F
InChIInChI=1S/C18H21FN4O2/c1-13-4-5-14(11-16(13)19)17(25-15-3-2-6-21-12-15)22-18(24)23-9-7-20-8-10-23/h2-6,11-12,17,20H,7-10H2,1H3,(H,22,24)
InChIKeyUIWHAPKABWEXNU-UHFFFAOYSA-N
XLogP2.22
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide (CID 140578150) is N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide is Cc1ccc(C(NC(=O)N2CCNCC2)Oc2cccnc2)cc1F.
What is the InChIKey of N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
The InChIKey is UIWHAPKABWEXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-13-4-5-14(11-16(13)19)17(25-15-3-2-6-21-12-15)22-18(24)23-9-7-20-8-10-23/h2-6,11-12,17,20H,7-10H2,1H3,(H,22,24).
What are the key properties of N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide?
N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methylphenyl)-pyridin-3-yloxymethyl]piperazine-1-carboxamide is sourced from PubChem (CID 140578150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).