3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide

C23H27N3O4 — CID 45214832

IUPAC3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(OC2CCN(C(=O)C3CCOC3)CC2)c1
InChIInChI=1S/C23H27N3O4/c27-22(25-15-17-3-2-9-24-14-17)18-4-1-5-21(13-18)30-20-6-10-26(11-7-20)23(28)19-8-12-29-16-19/h1-5,9,13-14,19-20H,6-8,10-12,15-16H2,(H,25,27)
InChIKeyLJFFMVLXBWQEQO-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.42
Rot. Bonds6

About 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide

3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 45214832) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
PubChem CID45214832
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1cccnc1)c1cccc(OC2CCN(C(=O)C3CCOC3)CC2)c1
InChIInChI=1S/C23H27N3O4/c27-22(25-15-17-3-2-9-24-14-17)18-4-1-5-21(13-18)30-20-6-10-26(11-7-20)23(28)19-8-12-29-16-19/h1-5,9,13-14,19-20H,6-8,10-12,15-16H2,(H,25,27)
InChIKeyLJFFMVLXBWQEQO-UHFFFAOYSA-N
XLogP2.42
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
4-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 45236126
3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 42557626
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 25477439
3-[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42099385
3-[1-(cyclohex-3-ene-1-carbonyl)piperidin-4-yl]oxy-N-(pyridin-2-ylmethyl)benzamide
CID 45172439
N-benzyl-3-(1-but-3-enoylpiperidin-4-yl)oxybenzamide
CID 28957115
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
2-cyclopentyloxy-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 91815462
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide (CID 45214832) is 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide is O=C(NCc1cccnc1)c1cccc(OC2CCN(C(=O)C3CCOC3)CC2)c1.
What is the InChIKey of 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is LJFFMVLXBWQEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c27-22(25-15-17-3-2-9-24-14-17)18-4-1-5-21(13-18)30-20-6-10-26(11-7-20)23(28)19-8-12-29-16-19/h1-5,9,13-14,19-20H,6-8,10-12,15-16H2,(H,25,27).
What are the key properties of 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide?
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 45214832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).