(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide

C19H29N3O2 — CID 96579373

IUPAC(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C19H29N3O2/c1-21(19(23)18-13-20-9-12-24-18)14-17-7-10-22(11-8-17)15-16-5-3-2-4-6-16/h2-6,17-18,20H,7-15H2,1H3/t18-/m1/s1
InChIKeyACQOKAPJNYWTAU-GOSISDBHSA-N
MW331.46 g/mol
LogP1.35
Rot. Bonds5

About (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide

(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 96579373) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
PubChem CID96579373
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@H]1CNCCO1
InChIInChI=1S/C19H29N3O2/c1-21(19(23)18-13-20-9-12-24-18)14-17-7-10-22(11-8-17)15-16-5-3-2-4-6-16/h2-6,17-18,20H,7-15H2,1H3/t18-/m1/s1
InChIKeyACQOKAPJNYWTAU-GOSISDBHSA-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

4-benzyl-N,N-dimethylmorpholine-2-carboxamide;N,N-dimethylmorpholine-2-carboxamide
CID 161414096
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941664
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
2-[2-[methyl(morpholine-2-carbonyl)amino]ethyl]benzoic acid
CID 104548311
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119683309
2-[[(2S)-4-benzylmorpholine-2-carbonyl]-methylamino]acetic acid
CID 124589089
morpholin-2-yl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 119698790
(2S)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]morpholine-2-carboxamide
CID 124685793
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119884957
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-2-hydroxy-N-methylacetamide
CID 70783649
N-(cyclobutylmethyl)-N-(1-phenylethyl)morpholine-2-carboxamide;hydrochloride
CID 119799553

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide (CID 96579373) is (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide is CN(CC1CCN(Cc2ccccc2)CC1)C(=O)[C@H]1CNCCO1.
What is the InChIKey of (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is ACQOKAPJNYWTAU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-21(19(23)18-13-20-9-12-24-18)14-17-7-10-22(11-8-17)15-16-5-3-2-4-6-16/h2-6,17-18,20H,7-15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide?
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide 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 (2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 96579373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).