4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide

C19H28FN3O2 — CID 119061623

IUPAC4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCCC(CNC(=O)N2CCC(Oc3ccccc3F)CC2)C1
InChIInChI=1S/C19H28FN3O2/c1-22-10-4-5-15(14-22)13-21-19(24)23-11-8-16(9-12-23)25-18-7-3-2-6-17(18)20/h2-3,6-7,15-16H,4-5,8-14H2,1H3,(H,21,24)
InChIKeyUWIHGGWGHLAXHE-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.72
Rot. Bonds4

About 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide

4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 119061623) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID119061623
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide
SMILESCN1CCCC(CNC(=O)N2CCC(Oc3ccccc3F)CC2)C1
InChIInChI=1S/C19H28FN3O2/c1-22-10-4-5-15(14-22)13-21-19(24)23-11-8-16(9-12-23)25-18-7-3-2-6-17(18)20/h2-3,6-7,15-16H,4-5,8-14H2,1H3,(H,21,24)
InChIKeyUWIHGGWGHLAXHE-UHFFFAOYSA-N
XLogP2.72
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-4-(2-fluorophenoxy)piperidine-1-carboxamide
CID 125448685
4-hydroxy-N-[(1-methylpiperidin-3-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 119061368
2-[1-[(1-methylpiperidin-3-yl)methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79612545
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 126442087
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
CID 95210574
2-(2-fluorophenoxy)-N-[(1-methylpiperidin-4-yl)methyl]acetamide
CID 16895399
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
4-methoxy-N-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 122559036
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide (CID 119061623) is 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide is CN1CCCC(CNC(=O)N2CCC(Oc3ccccc3F)CC2)C1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is UWIHGGWGHLAXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-22-10-4-5-15(14-22)13-21-19(24)23-11-8-16(9-12-23)25-18-7-3-2-6-17(18)20/h2-3,6-7,15-16H,4-5,8-14H2,1H3,(H,21,24).
What are the key properties of 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide?
4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 119061623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).