N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide

C24H39N5O2 — CID 109448301

IUPACN'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1ccnc(N2CCCCC2)c1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C24H39N5O2/c1-25-24(27-18-20-8-11-26-23(17-20)28-12-4-2-5-13-28)29-14-9-21(10-15-29)31-19-22-7-3-6-16-30-22/h8,11,17,21-22H,2-7,9-10,12-16,18-19H2,1H3,(H,25,27)
InChIKeyWVSGGEAQYBBWRF-UHFFFAOYSA-N
MW429.61 g/mol
LogP3.20
Rot. Bonds6

About N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide

N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide (PubChem CID 109448301) has the molecular formula C24H39N5O2 and a molecular weight of 429.61 g/mol. Its IUPAC name is N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
PubChem CID109448301
Molecular FormulaC24H39N5O2
Molecular Weight429.61 g/mol
Exact Mass429.31
IUPAC NameN'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(/NCc1ccnc(N2CCCCC2)c1)N1CCC(OCC2CCCCO2)CC1
InChIInChI=1S/C24H39N5O2/c1-25-24(27-18-20-8-11-26-23(17-20)28-12-4-2-5-13-28)29-14-9-21(10-15-29)31-19-22-7-3-6-16-30-22/h8,11,17,21-22H,2-7,9-10,12-16,18-19H2,1H3,(H,25,27)
InChIKeyWVSGGEAQYBBWRF-UHFFFAOYSA-N
XLogP3.20
TPSA62.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 53.20
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'}

Analyze N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448427
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151
N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109447468
N-[(4-ethoxy-3-methylphenyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447735
N-[(6-cyclohexyloxy-3-pyridinyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447877
N-[(4-ethoxy-3-fluorophenyl)methyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449174
N'-methyl-4-(oxan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 109450145
N'-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109448935
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(3-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 109446893
N'-methyl-4-(oxan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109450144
3-[[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109447434
N'-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442861

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide (CID 109448301) is N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide is C/N=C(/NCc1ccnc(N2CCCCC2)c1)N1CCC(OCC2CCCCO2)CC1.
What is the InChIKey of N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide?
The InChIKey is WVSGGEAQYBBWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O2/c1-25-24(27-18-20-8-11-26-23(17-20)28-12-4-2-5-13-28)29-14-9-21(10-15-29)31-19-22-7-3-6-16-30-22/h8,11,17,21-22H,2-7,9-10,12-16,18-19H2,1H3,(H,25,27).
What are the key properties of N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide?
N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide has a molecular weight of 429.61 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(oxan-2-ylmethoxy)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109448301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).