(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

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Related Compounds

[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
(1-benzylpyrrolidin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119398857
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone
CID 119396607
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751
1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylmethoxyethanone;hydrochloride
CID 119396606
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 97082294
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777

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).