4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide

C19H26N2O3 — CID 91911366

IUPAC4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CC2CCN(C(=O)C3CCOCC3)CC2)cc1
InChIInChI=1S/C19H26N2O3/c20-18(22)16-3-1-14(2-4-16)13-15-5-9-21(10-6-15)19(23)17-7-11-24-12-8-17/h1-4,15,17H,5-13H2,(H2,20,22)
InChIKeyMPYXWGSJSSPVGM-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.99
Rot. Bonds4

About 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide

4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide (PubChem CID 91911366) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
PubChem CID91911366
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CC2CCN(C(=O)C3CCOCC3)CC2)cc1
InChIInChI=1S/C19H26N2O3/c20-18(22)16-3-1-14(2-4-16)13-15-5-9-21(10-6-15)19(23)17-7-11-24-12-8-17/h1-4,15,17H,5-13H2,(H2,20,22)
InChIKeyMPYXWGSJSSPVGM-UHFFFAOYSA-N
XLogP1.99
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3S)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]benzamide
CID 97134086
4-(cyclobutylmethyl)benzamide
CID 174975666
[4-(2-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 121200652
[4-(4-hydroxybenzoyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 36914707
4-benzyl-N-[(4-carbamoyloxan-4-yl)methyl]piperidine-1-carboxamide
CID 136577461
4-[(4-tert-butylphenyl)methyl]piperidine-1-carboxylic acid;4-hydroxybenzamide
CID 68972515
6-[(2S)-4-(oxane-4-carbonyl)morpholin-2-yl]pyridine-3-carboxamide
CID 95847907
ethyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113005741
(4-benzylpiperidin-1-yl)-[1-(4-tert-butylbenzoyl)piperidin-4-yl]methanone
CID 3411231
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
4-[[(3R)-1-(1,1-dioxothiane-4-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95889126
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide (CID 91911366) is 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide is NC(=O)c1ccc(CC2CCN(C(=O)C3CCOCC3)CC2)cc1.
What is the InChIKey of 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide?
The InChIKey is MPYXWGSJSSPVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c20-18(22)16-3-1-14(2-4-16)13-15-5-9-21(10-6-15)19(23)17-7-11-24-12-8-17/h1-4,15,17H,5-13H2,(H2,20,22).
What are the key properties of 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide?
4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide has a molecular weight of 330.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(oxane-4-carbonyl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 91911366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).