N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

C23H39N5O2 — CID 109447995

IUPACN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn(C2CCCC2)n1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C23H39N5O2/c1-2-24-23(25-17-19-10-15-28(26-19)20-7-3-4-8-20)27-13-11-21(12-14-27)30-18-22-9-5-6-16-29-22/h10,15,20-22H,2-9,11-14,16-18H2,1H3,(H,24,25)
InChIKeyFXCFNYUTHGLESO-UHFFFAOYSA-N
MW417.60 g/mol
LogP3.51
Rot. Bonds7

About N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide

N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (PubChem CID 109447995) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
PubChem CID109447995
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC NameN'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccn(C2CCCC2)n1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C23H39N5O2/c1-2-24-23(25-17-19-10-15-28(26-19)20-7-3-4-8-20)27-13-11-21(12-14-27)30-18-22-9-5-6-16-29-22/h10,15,20-22H,2-9,11-14,16-18H2,1H3,(H,24,25)
InChIKeyFXCFNYUTHGLESO-UHFFFAOYSA-N
XLogP3.51
TPSA63.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109450326
N'-[(4-bromophenyl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109446959
N'-[(4-chlorophenyl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449959
N-ethyl-4-(oxan-2-ylmethoxy)-N'-(thiophen-2-ylmethyl)piperidine-1-carboximidamide
CID 109448637
N-ethyl-N'-[(2-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449500
N'-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448111
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 109448524
N-ethyl-N'-(furan-2-ylmethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449548
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447026
N'-[(6-chloro-3-pyridinyl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109448552
N'-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448667
N-ethyl-N'-(2-hydroxyethyl)-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448641

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The IUPAC name of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide (CID 109447995) is N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide.
What is the SMILES notation for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The canonical SMILES for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is CCN/C(=N\Cc1ccn(C2CCCC2)n1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
The InChIKey is FXCFNYUTHGLESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-2-24-23(25-17-19-10-15-28(26-19)20-7-3-4-8-20)27-13-11-21(12-14-27)30-18-22-9-5-6-16-29-22/h10,15,20-22H,2-9,11-14,16-18H2,1H3,(H,24,25).
What are the key properties of N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide?
N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide has a molecular weight of 417.60 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopentylpyrazol-3-yl)methyl]-N-ethyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide is sourced from PubChem (CID 109447995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).