4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide

C25H30N2O4 — CID 41412055

IUPAC4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C25H30N2O4/c28-24(20-10-12-22(13-11-20)31-18-23-5-4-16-30-23)26-17-19-6-8-21(9-7-19)25(29)27-14-2-1-3-15-27/h6-13,23H,1-5,14-18H2,(H,26,28)/t23-/m1/s1
InChIKeyOYOQYRRZNMJLIW-HSZRJFAPSA-N
MW422.53 g/mol
LogP3.80
Rot. Bonds7

About 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide

4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 41412055) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID41412055
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1
InChIInChI=1S/C25H30N2O4/c28-24(20-10-12-22(13-11-20)31-18-23-5-4-16-30-23)26-17-19-6-8-21(9-7-19)25(29)27-14-2-1-3-15-27/h6-13,23H,1-5,14-18H2,(H,26,28)/t23-/m1/s1
InChIKeyOYOQYRRZNMJLIW-HSZRJFAPSA-N
XLogP3.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[[[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]benzamide
CID 46494621
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
4-(oxolan-2-ylmethoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 46560251
1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 46478560
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
[4-(oxiran-2-ylmethoxy)phenyl]-pyrrolidin-1-ylmethanone
CID 146098594
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46478512
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25498534
4-[[(2R)-oxolan-2-yl]methoxy]-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 7824799
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide (CID 41412055) is 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(OC[C@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is OYOQYRRZNMJLIW-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N2O4/c28-24(20-10-12-22(13-11-20)31-18-23-5-4-16-30-23)26-17-19-6-8-21(9-7-19)25(29)27-14-2-1-3-15-27/h6-13,23H,1-5,14-18H2,(H,26,28)/t23-/m1/s1.
What are the key properties of 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide?
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 41412055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).