(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide

C20H31N3O2 — CID 126450255

IUPAC(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCCCCCN1CCOCC1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C20H31N3O2/c24-20(21-11-5-2-6-12-22-14-16-25-17-15-22)23-13-7-10-19(23)18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2,(H,21,24)/t19-/m1/s1
InChIKeyABOSCEGAUDLAMD-LJQANCHMSA-N
MW345.49 g/mol
LogP3.04
Rot. Bonds7

About (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide

(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide (PubChem CID 126450255) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
PubChem CID126450255
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide
SMILESO=C(NCCCCCN1CCOCC1)N1CCC[C@@H]1c1ccccc1
InChIInChI=1S/C20H31N3O2/c24-20(21-11-5-2-6-12-22-14-16-25-17-15-22)23-13-7-10-19(23)18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2,(H,21,24)/t19-/m1/s1
InChIKeyABOSCEGAUDLAMD-LJQANCHMSA-N
XLogP3.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 86914008
(2S)-N-[4-(morpholin-4-ylmethyl)phenyl]-2-phenylpyrrolidine-1-carboxamide
CID 97437174
(2S)-2-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)pyrrolidine-1-carboxamide
CID 95312949
(2R)-N-(2-morpholin-4-ylethyl)-2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide
CID 97253672
4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
propan-2-yl 3-[[(2R)-2-phenylpyrrolidine-1-carbonyl]amino]propanoate
CID 94044030
4-[[2-(4-methylphenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021682
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
3-[(2-phenylazetidine-1-carbonyl)amino]propanoic acid
CID 122019325
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021512
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
(2R)-2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 95284676

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide (CID 126450255) is (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide is O=C(NCCCCCN1CCOCC1)N1CCC[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide?
The InChIKey is ABOSCEGAUDLAMD-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O2/c24-20(21-11-5-2-6-12-22-14-16-25-17-15-22)23-13-7-10-19(23)18-8-3-1-4-9-18/h1,3-4,8-9,19H,2,5-7,10-17H2,(H,21,24)/t19-/m1/s1.
What are the key properties of (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide?
(2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-morpholin-4-ylpentyl)-2-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 126450255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).