N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide

C28H38N2O3 — CID 25281267

IUPACN-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide
SMILESCCCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C28H38N2O3/c1-2-17-30(22-27-9-6-21-32-27)28(31)24-10-12-25(13-11-24)33-26-15-19-29(20-16-26)18-14-23-7-4-3-5-8-23/h3-5,7-8,10-13,26-27H,2,6,9,14-22H2,1H3/t27-/m1/s1
InChIKeyFDCGDZDAGRZLNS-HHHXNRCGSA-N
MW450.62 g/mol
LogP4.80
Rot. Bonds10

About N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide

N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide (PubChem CID 25281267) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide.

Molecular Properties

Compound NameN-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide
PubChem CID25281267
Molecular FormulaC28H38N2O3
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC NameN-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide
SMILESCCCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C28H38N2O3/c1-2-17-30(22-27-9-6-21-32-27)28(31)24-10-12-25(13-11-24)33-26-15-19-29(20-16-26)18-14-23-7-4-3-5-8-23/h3-5,7-8,10-13,26-27H,2,6,9,14-22H2,1H3/t27-/m1/s1
InChIKeyFDCGDZDAGRZLNS-HHHXNRCGSA-N
XLogP4.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide with MolForge

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Related Compounds

N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-piperidin-1-ylethyl)benzamide
CID 42527447
N-methyl-N-(1-methylpiperidin-4-yl)-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 26328291
N-[[(2S)-oxolan-2-yl]methyl]-N-propyl-4-pyrrol-1-ylbenzamide
CID 95211562
N-[(2S)-2-hydroxypropyl]-N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 97284497
1,2-oxazolidin-2-yl-[4-[1-(2-phenylethyl)piperidin-4-yl]oxyphenyl]methanone
CID 26326622
N-[[(3S)-1-methylpiperidin-3-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 25377416
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45180353
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enyl-N-prop-2-ynylbenzamide
CID 28739164
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-prop-2-enylbenzamide
CID 25366070
[4-[1-(3-phenylpropyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24793060

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide?
The IUPAC name of N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide (CID 25281267) is N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide.
What is the SMILES notation for N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide?
The canonical SMILES for N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide is CCCN(C[C@H]1CCCO1)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide?
The InChIKey is FDCGDZDAGRZLNS-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-2-17-30(22-27-9-6-21-32-27)28(31)24-10-12-25(13-11-24)33-26-15-19-29(20-16-26)18-14-23-7-4-3-5-8-23/h3-5,7-8,10-13,26-27H,2,6,9,14-22H2,1H3/t27-/m1/s1.
What are the key properties of N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide?
N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide has a molecular weight of 450.62 g/mol, XLogP of 4.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-oxolan-2-yl]methyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-propylbenzamide is sourced from PubChem (CID 25281267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).