N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide

C21H26N2O2 — CID 3246759

IUPACN-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-17(25-20-10-6-3-7-11-20)21(24)22-19-12-14-23(15-13-19)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3,(H,22,24)
InChIKeyBHLSQGCACOKKKM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.23
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide

N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide (PubChem CID 3246759) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
PubChem CID3246759
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H26N2O2/c1-17(25-20-10-6-3-7-11-20)21(24)22-19-12-14-23(15-13-19)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3,(H,22,24)
InChIKeyBHLSQGCACOKKKM-UHFFFAOYSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 136517640
2-(4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 24504184
(2R)-N-(1-benzylpiperidin-4-yl)-2-(2-methylphenoxy)propanamide
CID 27233294
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379
N-(1-benzylpiperidin-3-yl)-2-(4-methylphenoxy)propanamide
CID 55645284
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
2-[3-(hydroxymethyl)phenoxy]-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 109388973
N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 123647467
(2S)-N-(1-benzylpiperidin-4-yl)-2-methoxy-2-phenylacetamide
CID 118547816
4-amino-N-(1-benzylpiperidin-4-yl)-2-methylbutanamide
CID 80541388
N-cyclopropyl-2-(4-phenoxyphenoxy)propanamide
CID 4793506

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide (CID 3246759) is N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide?
The InChIKey is BHLSQGCACOKKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-17(25-20-10-6-3-7-11-20)21(24)22-19-12-14-23(15-13-19)16-18-8-4-2-5-9-18/h2-11,17,19H,12-16H2,1H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide?
N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-phenoxypropanamide is sourced from PubChem (CID 3246759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).