4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide

C24H31FN2O2 — CID 55960505

IUPAC4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)CCCOc2ccccc2F)C1
InChIInChI=1S/C24H31FN2O2/c1-19-8-6-14-27(17-19)18-21-10-3-2-9-20(21)16-26-24(28)13-7-15-29-23-12-5-4-11-22(23)25/h2-5,9-12,19H,6-8,13-18H2,1H3,(H,26,28)
InChIKeyPORNRJAVDYZHKY-UHFFFAOYSA-N
MW398.52 g/mol
LogP4.53
Rot. Bonds9

About 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide

4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide (PubChem CID 55960505) has the molecular formula C24H31FN2O2 and a molecular weight of 398.52 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
PubChem CID55960505
Molecular FormulaC24H31FN2O2
Molecular Weight398.52 g/mol
Exact Mass398.24
IUPAC Name4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCC1CCCN(Cc2ccccc2CNC(=O)CCCOc2ccccc2F)C1
InChIInChI=1S/C24H31FN2O2/c1-19-8-6-14-27(17-19)18-21-10-3-2-9-20(21)16-26-24(28)13-7-15-29-23-12-5-4-11-22(23)25/h2-5,9-12,19H,6-8,13-18H2,1H3,(H,26,28)
InChIKeyPORNRJAVDYZHKY-UHFFFAOYSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.52
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide
CID 120564544
4-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]pentanamide;dihydrochloride
CID 120564543
tert-butyl N-[3-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methylamino]-3-oxopropyl]carbamate
CID 51948460
2-(2,4-dimethoxyphenyl)-N-[[2-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947426
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
2-(4-acetamidophenyl)-N-[[2-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 51947424
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 112826529
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
1-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119845563

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide (CID 55960505) is 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide is CC1CCCN(Cc2ccccc2CNC(=O)CCCOc2ccccc2F)C1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide?
The InChIKey is PORNRJAVDYZHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2O2/c1-19-8-6-14-27(17-19)18-21-10-3-2-9-20(21)16-26-24(28)13-7-15-29-23-12-5-4-11-22(23)25/h2-5,9-12,19H,6-8,13-18H2,1H3,(H,26,28).
What are the key properties of 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide?
4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide has a molecular weight of 398.52 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 55960505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).