(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide

C19H29N3O2 — CID 120941664

IUPAC(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-15-18(20-9-11-24-15)19(23)21(2)12-17-8-10-22(14-17)13-16-6-4-3-5-7-16/h3-7,15,17-18,20H,8-14H2,1-2H3/t15-,17?,18+/m1/s1
InChIKeyVIJUIFOACVQELJ-IKJNGHJTSA-N
MW331.46 g/mol
LogP1.34
Rot. Bonds5

About (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide

(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide (PubChem CID 120941664) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide
PubChem CID120941664
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(C)CC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C19H29N3O2/c1-15-18(20-9-11-24-15)19(23)21(2)12-17-8-10-22(14-17)13-16-6-4-3-5-7-16/h3-7,15,17-18,20H,8-14H2,1-2H3/t15-,17?,18+/m1/s1
InChIKeyVIJUIFOACVQELJ-IKJNGHJTSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120941341
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373
(2R,3S)-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N,2-dimethylmorpholine-3-carboxamide;dihydrochloride
CID 120941340
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119885001
(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
CID 120941555
N-[(1-benzylpyrrolidin-3-yl)methyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide;dihydrochloride
CID 119884957
(2R,3S)-N-(cyclobutylmethyl)-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120930697
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methyl-2H-triazole-4-carboxamide
CID 124608268
N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methyl-3-piperidin-4-ylbutanamide
CID 119884980

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide (CID 120941664) is (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)N(C)CC1CCN(Cc2ccccc2)C1.
What is the InChIKey of (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide?
The InChIKey is VIJUIFOACVQELJ-IKJNGHJTSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-18(20-9-11-24-15)19(23)21(2)12-17-8-10-22(14-17)13-16-6-4-3-5-7-16/h3-7,15,17-18,20H,8-14H2,1-2H3/t15-,17?,18+/m1/s1.
What are the key properties of (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide?
(2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide is sourced from PubChem (CID 120941664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).