N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide

C22H28N2O3 — CID 136517640

IUPACN-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c1-17(27-21-9-5-8-19(14-21)16-25)22(26)23-20-10-12-24(13-11-20)15-18-6-3-2-4-7-18/h2-9,14,17,20,25H,10-13,15-16H2,1H3,(H,23,26)
InChIKeyLQPHKUHCQPJARL-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.73
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide

N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 136517640) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID136517640
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H28N2O3/c1-17(27-21-9-5-8-19(14-21)16-25)22(26)23-20-10-12-24(13-11-20)15-18-6-3-2-4-7-18/h2-9,14,17,20,25H,10-13,15-16H2,1H3,(H,23,26)
InChIKeyLQPHKUHCQPJARL-UHFFFAOYSA-N
XLogP2.73
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
CID 3246759
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 136554367
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
2-(2-chloro-5-methylphenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 55946356
2-[3-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxyphenyl]acetic acid
CID 61398270
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2S)-N-[(3S,4S)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-2-(3-bromophenoxy)propanamide
CID 97064191
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propanamide
CID 90832663
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 136517640) is N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is LQPHKUHCQPJARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(27-21-9-5-8-19(14-21)16-25)22(26)23-20-10-12-24(13-11-20)15-18-6-3-2-4-7-18/h2-9,14,17,20,25H,10-13,15-16H2,1H3,(H,23,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 136517640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).