(3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide

C16H30N4O2 — CID 111551414

IUPAC(3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCC(=O)N1CCCC(C)C1)N1CC[C@@H](O)C1
InChIInChI=1S/C16H30N4O2/c1-3-17-16(20-10-7-14(21)12-20)18-8-6-15(22)19-9-4-5-13(2)11-19/h13-14,21H,3-12H2,1-2H3,(H,17,18)/t13?,14-/m1/s1
InChIKeyBQKHHTOFBNGERC-ARLHGKGLSA-N
MW310.44 g/mol
LogP0.67
Rot. Bonds4

About (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide

(3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide (PubChem CID 111551414) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide
PubChem CID111551414
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name(3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCC(=O)N1CCCC(C)C1)N1CC[C@@H](O)C1
InChIInChI=1S/C16H30N4O2/c1-3-17-16(20-10-7-14(21)12-20)18-8-6-15(22)19-9-4-5-13(2)11-19/h13-14,21H,3-12H2,1-2H3,(H,17,18)/t13?,14-/m1/s1
InChIKeyBQKHHTOFBNGERC-ARLHGKGLSA-N
XLogP0.67
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide with MolForge

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Related Compounds

(2S)-3-[[1-[4-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]butanoyl]piperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 59099505
1-Ethyl-2-[3-(4-hydroxypiperidin-1-yl)propyl]-3-(1-propanoylpyrrolidin-3-yl)guanidine
CID 109817419
3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]-N,N-dimethylpropanamide
CID 111549720
(3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111549859
(3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111549860
(3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111550349
(3R)-N-ethyl-3-hydroxy-N'-(2-oxo-2-piperidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 111550350
1-[3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111550565
1-[3-[[ethylamino-[(3R)-3-hydroxypyrrolidin-1-yl]methylidene]amino]propyl]piperidine-3-carboxamide
CID 111550566
(3R)-N'-[4-(3,5-dimethylpiperidin-1-yl)butyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111550592
(3R)-N-ethyl-3-hydroxy-N'-[4-(3-methylpiperidin-1-yl)butyl]pyrrolidine-1-carboximidamide
CID 111550834
(3R)-N'-[3-(3,5-dimethylpiperidin-1-yl)propyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550841

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide?
The IUPAC name of (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide (CID 111551414) is (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide is CCN/C(=N\CCC(=O)N1CCCC(C)C1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide?
The InChIKey is BQKHHTOFBNGERC-ARLHGKGLSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-3-17-16(20-10-7-14(21)12-20)18-8-6-15(22)19-9-4-5-13(2)11-19/h13-14,21H,3-12H2,1-2H3,(H,17,18)/t13?,14-/m1/s1.
What are the key properties of (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide?
(3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide has a molecular weight of 310.44 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-hydroxy-N'-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111551414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).