(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide

C15H30N4O — CID 111551058

IUPAC(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCN(CC)C1)N1CC[C@@H](O)C1
InChIInChI=1S/C15H30N4O/c1-3-16-15(19-9-7-14(20)12-19)17-10-13-6-5-8-18(4-2)11-13/h13-14,20H,3-12H2,1-2H3,(H,16,17)/t13?,14-/m1/s1
InChIKeyIBXMDGUUOAYZQS-ARLHGKGLSA-N
MW282.43 g/mol
LogP0.75
Rot. Bonds4

About (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide

(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide (PubChem CID 111551058) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide
PubChem CID111551058
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC Name(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CC1CCCN(CC)C1)N1CC[C@@H](O)C1
InChIInChI=1S/C15H30N4O/c1-3-16-15(19-9-7-14(20)12-19)17-10-13-6-5-8-18(4-2)11-13/h13-14,20H,3-12H2,1-2H3,(H,16,17)/t13?,14-/m1/s1
InChIKeyIBXMDGUUOAYZQS-ARLHGKGLSA-N
XLogP0.75
TPSA51.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.75
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-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111551057
(3R)-N'-(cyclopropylmethyl)-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111549681
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111145458
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723802
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2,2-dimethylthiomorpholine-4-carboximidamide;hydroiodide
CID 109488567
(3R)-N-ethyl-3-hydroxy-N'-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111550055
(3R)-N-ethyl-3-hydroxy-N'-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboximidamide
CID 111549702
N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480544
N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733879
methyl 1-[N-ethyl-N'-[(1-ethylpyrrolidin-3-yl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111253197
(3R)-N-ethyl-N'-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-hydroxypyrrolidine-1-carboximidamide
CID 111549700
(3R)-N'-[[4-(azepan-1-ylmethyl)phenyl]methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111551446

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide (CID 111551058) is (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide is CCN/C(=N\CC1CCCN(CC)C1)N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is IBXMDGUUOAYZQS-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H30N4O/c1-3-16-15(19-9-7-14(20)12-19)17-10-13-6-5-8-18(4-2)11-13/h13-14,20H,3-12H2,1-2H3,(H,16,17)/t13?,14-/m1/s1.
What are the key properties of (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide?
(3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 282.43 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-N'-[(1-ethylpiperidin-3-yl)methyl]-3-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 111551058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).