2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide

C26H35N3O3 — CID 86970774

IUPAC2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide
SMILESCOc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccccc3OC3CCC3)CC2)c1C
InChIInChI=1S/C26H35N3O3/c1-18-16-27-23(19(2)25(18)31-4)17-29-14-12-20(13-15-29)28(3)26(30)22-10-5-6-11-24(22)32-21-8-7-9-21/h5-6,10-11,16,20-21H,7-9,12-15,17H2,1-4H3
InChIKeyLHCAGJQGETVQFB-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.37
Rot. Bonds7

About 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide

2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide (PubChem CID 86970774) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide
PubChem CID86970774
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide
SMILESCOc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccccc3OC3CCC3)CC2)c1C
InChIInChI=1S/C26H35N3O3/c1-18-16-27-23(19(2)25(18)31-4)17-29-14-12-20(13-15-29)28(3)26(30)22-10-5-6-11-24(22)32-21-8-7-9-21/h5-6,10-11,16,20-21H,7-9,12-15,17H2,1-4H3
InChIKeyLHCAGJQGETVQFB-UHFFFAOYSA-N
XLogP4.37
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide?
The IUPAC name of 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide (CID 86970774) is 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide?
The canonical SMILES for 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide is COc1c(C)cnc(CN2CCC(N(C)C(=O)c3ccccc3OC3CCC3)CC2)c1C.
What is the InChIKey of 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide?
The InChIKey is LHCAGJQGETVQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-18-16-27-23(19(2)25(18)31-4)17-29-14-12-20(13-15-29)28(3)26(30)22-10-5-6-11-24(22)32-21-8-7-9-21/h5-6,10-11,16,20-21H,7-9,12-15,17H2,1-4H3.
What are the key properties of 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide?
2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide has a molecular weight of 437.58 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 86970774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).