N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

C24H37N3O2 — CID 127036559

IUPACN-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCc1cc(OC2CCN(C(C)C)CC2)ccc1C(=O)NC1CCN(C2CCC2)C1
InChIInChI=1S/C24H37N3O2/c1-17(2)26-13-10-21(11-14-26)29-22-7-8-23(18(3)15-22)24(28)25-19-9-12-27(16-19)20-5-4-6-20/h7-8,15,17,19-21H,4-6,9-14,16H2,1-3H3,(H,25,28)
InChIKeyKZOVEMKJEFSTGY-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.60
Rot. Bonds6

About N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide

N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (PubChem CID 127036559) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
PubChem CID127036559
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
SMILESCc1cc(OC2CCN(C(C)C)CC2)ccc1C(=O)NC1CCN(C2CCC2)C1
InChIInChI=1S/C24H37N3O2/c1-17(2)26-13-10-21(11-14-26)29-22-7-8-23(18(3)15-22)24(28)25-19-9-12-27(16-19)20-5-4-6-20/h7-8,15,17,19-21H,4-6,9-14,16H2,1-3H3,(H,25,28)
InChIKeyKZOVEMKJEFSTGY-UHFFFAOYSA-N
XLogP3.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The IUPAC name of N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide (CID 127036559) is N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide.
What is the SMILES notation for N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The canonical SMILES for N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is Cc1cc(OC2CCN(C(C)C)CC2)ccc1C(=O)NC1CCN(C2CCC2)C1.
What is the InChIKey of N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
The InChIKey is KZOVEMKJEFSTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-17(2)26-13-10-21(11-14-26)29-22-7-8-23(18(3)15-22)24(28)25-19-9-12-27(16-19)20-5-4-6-20/h7-8,15,17,19-21H,4-6,9-14,16H2,1-3H3,(H,25,28).
What are the key properties of N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide?
N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide has a molecular weight of 399.58 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrrolidin-3-yl)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide is sourced from PubChem (CID 127036559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).