(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C19H29N3O2 — CID 119395506

IUPAC(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)C2CN(Cc3ccccc3)CCO2)C1
InChIInChI=1S/C19H29N3O2/c1-20-12-17-8-5-9-22(14-17)19(23)18-15-21(10-11-24-18)13-16-6-3-2-4-7-16/h2-4,6-7,17-18,20H,5,8-15H2,1H3
InChIKeyAKHRBZOKPZKXES-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.35
Rot. Bonds5

About (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119395506) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119395506
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)C2CN(Cc3ccccc3)CCO2)C1
InChIInChI=1S/C19H29N3O2/c1-20-12-17-8-5-9-22(14-17)19(23)18-15-21(10-11-24-18)13-16-6-3-2-4-7-16/h2-4,6-7,17-18,20H,5,8-15H2,1H3
InChIKeyAKHRBZOKPZKXES-UHFFFAOYSA-N
XLogP1.35
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119395506) is (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)C2CN(Cc3ccccc3)CCO2)C1.
What is the InChIKey of (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is AKHRBZOKPZKXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-20-12-17-8-5-9-22(14-17)19(23)18-15-21(10-11-24-18)13-16-6-3-2-4-7-16/h2-4,6-7,17-18,20H,5,8-15H2,1H3.
What are the key properties of (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 331.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119395506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).