5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

C23H29N3O3 — CID 45219695

IUPAC5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)NC2CCOC2)c1
InChIInChI=1S/C23H29N3O3/c1-17-2-3-22(21(14-17)23(27)25-19-8-13-28-16-19)29-20-6-11-26(12-7-20)15-18-4-9-24-10-5-18/h2-5,9-10,14,19-20H,6-8,11-13,15-16H2,1H3,(H,25,27)
InChIKeyFJSWSGNGVSLGHV-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.95
Rot. Bonds6

About 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide

5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (PubChem CID 45219695) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
PubChem CID45219695
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
SMILESCc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)NC2CCOC2)c1
InChIInChI=1S/C23H29N3O3/c1-17-2-3-22(21(14-17)23(27)25-19-8-13-28-16-19)29-20-6-11-26(12-7-20)15-18-4-9-24-10-5-18/h2-5,9-10,14,19-20H,6-8,11-13,15-16H2,1H3,(H,25,27)
InChIKeyFJSWSGNGVSLGHV-UHFFFAOYSA-N
XLogP2.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclobutyl-5-methyl-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 72911709
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methoxy-5-methylbenzamide
CID 8590309
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 58456925
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
2-methyl-N-(oxan-4-yl)-5-(pyrrolidin-1-ylmethyl)benzamide
CID 70845853
2-methoxy-5-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134711078
6-[1-(4-methylphenyl)piperidin-4-yl]oxy-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-1-benzothiophene-2-carboxamide
CID 58456833
5-chloro-2-(1-cyclopentylpiperidin-4-yl)oxy-N-(oxan-4-yl)benzamide
CID 26320596
N-(4-hydroxycyclohexyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide
CID 25287963
N-methyl-3-[[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methyl]benzamide
CID 136543374
2-(ethylamino)-4-methyl-N-(oxolan-3-yl)benzamide
CID 80714846

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide (CID 45219695) is 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is Cc1ccc(OC2CCN(Cc3ccncc3)CC2)c(C(=O)NC2CCOC2)c1.
What is the InChIKey of 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
The InChIKey is FJSWSGNGVSLGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-2-3-22(21(14-17)23(27)25-19-8-13-28-16-19)29-20-6-11-26(12-7-20)15-18-4-9-24-10-5-18/h2-5,9-10,14,19-20H,6-8,11-13,15-16H2,1H3,(H,25,27).
What are the key properties of 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide?
5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide has a molecular weight of 395.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxolan-3-yl)-2-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45219695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).