N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide

C24H32N4O2 — CID 111346485

IUPACN-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-25-24(26-18-21-8-5-7-19-6-3-4-9-22(19)21)28-12-10-20(11-13-28)23(29)27-14-16-30-17-15-27/h3-9,20H,2,10-18H2,1H3,(H,25,26)
InChIKeyZBEFEZDRPRDAQX-UHFFFAOYSA-N
MW408.55 g/mol
LogP2.88
Rot. Bonds4

About N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide

N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide (PubChem CID 111346485) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide
PubChem CID111346485
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cccc2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C24H32N4O2/c1-2-25-24(26-18-21-8-5-7-19-6-3-4-9-22(19)21)28-12-10-20(11-13-28)23(29)27-14-16-30-17-15-27/h3-9,20H,2,10-18H2,1H3,(H,25,26)
InChIKeyZBEFEZDRPRDAQX-UHFFFAOYSA-N
XLogP2.88
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
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-4-(2-morpholin-4-yl-2-oxoethyl)-N'-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 111367709
N-ethyl-3-(morpholin-4-ylmethyl)-N'-(naphthalen-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111978501
N'-[(4-cyanophenyl)methyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346494
N-ethyl-4-(morpholine-4-carbonyl)-N'-[(3-nitrophenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111346482
ethyl 1-[N-ethyl-N'-[[2-(morpholin-4-ylmethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156948
methyl 1-[N-ethyl-N'-[[2-(hydroxymethyl)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254937
N-ethyl-N'-[2-(2-methoxyphenoxy)propyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 111503341
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
N-ethyl-N'-(naphthalen-1-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207780
N-ethyl-N'-(3-hydroxy-2-methylpropyl)-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 111346416
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 109392432
ethyl 1-[N-ethyl-N'-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111155888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide?
The IUPAC name of N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide (CID 111346485) is N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide?
The canonical SMILES for N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide is CCN/C(=N\Cc1cccc2ccccc12)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide?
The InChIKey is ZBEFEZDRPRDAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-2-25-24(26-18-21-8-5-7-19-6-3-4-9-22(19)21)28-12-10-20(11-13-28)23(29)27-14-16-30-17-15-27/h3-9,20H,2,10-18H2,1H3,(H,25,26).
What are the key properties of N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide?
N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide has a molecular weight of 408.55 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(morpholine-4-carbonyl)-N'-(naphthalen-1-ylmethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 111346485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).