N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide

C24H29N5O — CID 109427575

IUPACN-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ncc(-c2ccccc2)[nH]1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H29N5O/c1-2-25-24(27-18-23-26-17-22(28-23)19-9-5-3-6-10-19)29-15-13-21(14-16-29)30-20-11-7-4-8-12-20/h3-12,17,21H,2,13-16,18H2,1H3,(H,25,27)(H,26,28)
InChIKeyODTJSQXRIWSREC-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.09
Rot. Bonds6

About N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide

N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide (PubChem CID 109427575) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide
PubChem CID109427575
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1ncc(-c2ccccc2)[nH]1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C24H29N5O/c1-2-25-24(27-18-23-26-17-22(28-23)19-9-5-3-6-10-19)29-15-13-21(14-16-29)30-20-11-7-4-8-12-20/h3-12,17,21H,2,13-16,18H2,1H3,(H,25,27)(H,26,28)
InChIKeyODTJSQXRIWSREC-UHFFFAOYSA-N
XLogP4.09
TPSA65.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.09
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'}

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Related Compounds

N-ethyl-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111526075
tert-butyl N-[1-[N-ethyl-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729949
N-ethyl-N'-[(1-methylpyrazol-4-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427545
N'-(2-cyclopropylethyl)-N-ethyl-4-phenoxypiperidine-1-carboximidamide
CID 109426874
N-ethyl-4-phenoxy-N'-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109425661
N-ethyl-N'-(furan-2-ylmethyl)-4-phenoxypiperidine-1-carboximidamide
CID 109427617
N'-[3-(dimethylamino)propyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427920
N-ethyl-N'-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427565
N'-[2-[butan-2-yl(methyl)amino]ethyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426561
N-ethyl-N'-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426957
N'-[7-(dimethylamino)heptyl]-N-ethyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427634
N-ethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427283

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide (CID 109427575) is N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide is CCN/C(=N\Cc1ncc(-c2ccccc2)[nH]1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide?
The InChIKey is ODTJSQXRIWSREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-2-25-24(27-18-23-26-17-22(28-23)19-9-5-3-6-10-19)29-15-13-21(14-16-29)30-20-11-7-4-8-12-20/h3-12,17,21H,2,13-16,18H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide?
N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide has a molecular weight of 403.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-phenoxy-N'-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109427575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).