4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid

C18H24N2O4 — CID 146134662

IUPAC4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)NC2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(13-3-5-14(6-4-13)18(22)23)19-15-7-9-20(10-8-15)12-16-2-1-11-24-16/h3-6,15-16H,1-2,7-12H2,(H,19,21)(H,22,23)
InChIKeyOYDADXVKGJNRDP-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.76
Rot. Bonds5

About 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid

4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid (PubChem CID 146134662) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
PubChem CID146134662
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccc(C(=O)NC2CCN(CC3CCCO3)CC2)cc1
InChIInChI=1S/C18H24N2O4/c21-17(13-3-5-14(6-4-13)18(22)23)19-15-7-9-20(10-8-15)12-16-2-1-11-24-16/h3-6,15-16H,1-2,7-12H2,(H,19,21)(H,22,23)
InChIKeyOYDADXVKGJNRDP-UHFFFAOYSA-N
XLogP1.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-4-methyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]benzamide
CID 72896765
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyrimidin-5-ylbenzamide
CID 125157089
N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide
CID 95636078
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-4-carboxamide
CID 91793749
N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000544
2-(oxolan-2-ylmethyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 82163482
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
2,5-dimethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 125165824
2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
CID 124854189

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid (CID 146134662) is 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid is O=C(O)c1ccc(C(=O)NC2CCN(CC3CCCO3)CC2)cc1.
What is the InChIKey of 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid?
The InChIKey is OYDADXVKGJNRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-17(13-3-5-14(6-4-13)18(22)23)19-15-7-9-20(10-8-15)12-16-2-1-11-24-16/h3-6,15-16H,1-2,7-12H2,(H,19,21)(H,22,23).
What are the key properties of 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid?
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 146134662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).