(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide

C18H27N3O2 — CID 100841076

IUPAC(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C18H27N3O2/c1-14-11-20(12-15(2)23-14)13-17-9-6-10-21(17)18(22)19-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,19,22)/t14-,15+,17-/m1/s1
InChIKeySEFIKBFWTMLNLP-HLLBOEOZSA-N
MW317.43 g/mol
LogP2.79
Rot. Bonds3

About (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide

(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 100841076) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
PubChem CID100841076
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESC[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C18H27N3O2/c1-14-11-20(12-15(2)23-14)13-17-9-6-10-21(17)18(22)19-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,19,22)/t14-,15+,17-/m1/s1
InChIKeySEFIKBFWTMLNLP-HLLBOEOZSA-N
XLogP2.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(3-nitrophenyl)pyrrolidine-1-carboxamide
CID 52502579
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 47075835
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-phenylmethanone
CID 95157617
(2R)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-(1-ethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 94783876
1-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 94799202
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methoxy-3-pyridinyl)pyrrolidine-1-carboxamide
CID 47850387
(2R)-N-cyclohexyl-2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 100854288
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-(2-hydroxypropyl)-N-phenylpiperidine-1-carboxamide
CID 79539071
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidine-1-carboxamide
CID 52502776
N-[3-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidine-1-carbonyl]phenyl]methanesulfonamide
CID 47800118
[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 94814878

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide (CID 100841076) is (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide is C[C@@H]1CN(C[C@H]2CCCN2C(=O)Nc2ccccc2)C[C@H](C)O1.
What is the InChIKey of (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is SEFIKBFWTMLNLP-HLLBOEOZSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-11-20(12-15(2)23-14)13-17-9-6-10-21(17)18(22)19-16-7-4-3-5-8-16/h3-5,7-8,14-15,17H,6,9-13H2,1-2H3,(H,19,22)/t14-,15+,17-/m1/s1.
What are the key properties of (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 100841076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).