(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide

C17H23N3O3 — CID 110286160

IUPAC(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O3/c21-16(18-13-14-5-2-1-3-6-14)15-7-4-8-20(15)17(22)19-9-11-23-12-10-19/h1-3,5-6,15H,4,7-13H2,(H,18,21)/t15-/m0/s1
InChIKeyNZDXOOQGAYCDKK-HNNXBMFYSA-N
MW317.39 g/mol
LogP1.22
Rot. Bonds3

About (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide

(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide (PubChem CID 110286160) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
PubChem CID110286160
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O3/c21-16(18-13-14-5-2-1-3-6-14)15-7-4-8-20(15)17(22)19-9-11-23-12-10-19/h1-3,5-6,15H,4,7-13H2,(H,18,21)/t15-/m0/s1
InChIKeyNZDXOOQGAYCDKK-HNNXBMFYSA-N
XLogP1.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
N-benzyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170418185
(2S)-1-N-benzyl-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468512
(2S)-N-benzyl-1-pentanoylpyrrolidine-2-carboxamide
CID 110286101
N-benzyl-1-(2-cyclopropylpropanoyl)pyrrolidine-2-carboxamide
CID 110625860
4-[[[1-(2-phenylacetyl)pyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 119353518
(2S)-1-N-benzyl-2-N-(2-methylpropyl)pyrrolidine-1,2-dicarboxamide
CID 1468506
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
(2R)-N-benzyl-1-(furan-3-carbonyl)piperidine-2-carboxamide
CID 815025
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide (CID 110286160) is (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide is O=C(NCc1ccccc1)[C@@H]1CCCN1C(=O)N1CCOCC1.
What is the InChIKey of (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide?
The InChIKey is NZDXOOQGAYCDKK-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(18-13-14-5-2-1-3-6-14)15-7-4-8-20(15)17(22)19-9-11-23-12-10-19/h1-3,5-6,15H,4,7-13H2,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide?
(2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110286160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).