3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide

C20H30N2O3 — CID 56787210

IUPAC3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
SMILESO=C(CCOc1ccccc1)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C20H30N2O3/c23-19(9-14-25-18-7-3-1-4-8-18)21-17-20(10-15-24-16-11-20)22-12-5-2-6-13-22/h1,3-4,7-8H,2,5-6,9-17H2,(H,21,23)
InChIKeyQXVLGZOMGGTALX-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.61
Rot. Bonds7

About 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide

3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide (PubChem CID 56787210) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
PubChem CID56787210
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
SMILESO=C(CCOc1ccccc1)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C20H30N2O3/c23-19(9-14-25-18-7-3-1-4-8-18)21-17-20(10-15-24-16-11-20)22-12-5-2-6-13-22/h1,3-4,7-8H,2,5-6,9-17H2,(H,21,23)
InChIKeyQXVLGZOMGGTALX-UHFFFAOYSA-N
XLogP2.61
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]propanamide
CID 55666927
3-amino-3-phenyl-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 119953909
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-3-phenoxypropanamide
CID 110292567
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
CID 95619752
2-(2-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994960
N-(1-adamantylmethyl)-3-phenoxypropanamide
CID 26202952
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
CID 110601077
N-[2-(4-morpholin-4-ylphenyl)ethyl]-3-phenoxypropanamide
CID 110405008
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-2-phenoxyacetamide
CID 110292724
N-[(4-piperidin-1-yloxan-4-yl)methyl]-2-pyrazol-1-ylpyridine-4-carboxamide
CID 154737203

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The IUPAC name of 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide (CID 56787210) is 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide is O=C(CCOc1ccccc1)NCC1(N2CCCCC2)CCOCC1.
What is the InChIKey of 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The InChIKey is QXVLGZOMGGTALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-19(9-14-25-18-7-3-1-4-8-18)21-17-20(10-15-24-16-11-20)22-12-5-2-6-13-22/h1,3-4,7-8H,2,5-6,9-17H2,(H,21,23).
What are the key properties of 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 56787210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).