2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide

C23H34IN5O — CID 111978071

IUPAC2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)CN1CCC(N/C(=N/C)NCc2cccc3ccccc23)CC1.I
InChIInChI=1S/C23H33N5O.HI/c1-3-13-25-22(29)17-28-14-11-20(12-15-28)27-23(24-2)26-16-19-9-6-8-18-7-4-5-10-21(18)19;/h4-10,20H,3,11-17H2,1-2H3,(H,25,29)(H2,24,26,27);1H
InChIKeyFOMIAIFYQRTWPG-UHFFFAOYSA-N
MW523.46 g/mol
LogP3.11
Rot. Bonds7

About 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide

2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide (PubChem CID 111978071) has the molecular formula C23H34IN5O and a molecular weight of 523.46 g/mol. Its IUPAC name is 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide.

Molecular Properties

Compound Name2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
PubChem CID111978071
Molecular FormulaC23H34IN5O
Molecular Weight523.46 g/mol
Exact Mass523.18
IUPAC Name2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
SMILESCCCNC(=O)CN1CCC(N/C(=N/C)NCc2cccc3ccccc23)CC1.I
InChIInChI=1S/C23H33N5O.HI/c1-3-13-25-22(29)17-28-14-11-20(12-15-28)27-23(24-2)26-16-19-9-6-8-18-7-4-5-10-21(18)19;/h4-10,20H,3,11-17H2,1-2H3,(H,25,29)(H2,24,26,27);1H
InChIKeyFOMIAIFYQRTWPG-UHFFFAOYSA-N
XLogP3.11
TPSA68.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.46
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[N-[(4-bromophenyl)methyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide
CID 111978061
methyl 4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111978160
2-methyl-N-[2-[[N'-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]carbamimidoyl]amino]ethyl]propanamide;hydroiodide
CID 111990748
2-[4-[[N-[(5-cyano-2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide
CID 111992753
2-methyl-1-(2-naphthalen-1-ylethyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111017595
1-(1-cyclohexylpiperidin-4-yl)-2-methyl-3-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111978527
2-methyl-1-(naphthalen-1-ylmethyl)-3-(1-pyridin-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111978085
2-[4-[[N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-N'-methylcarbamimidoyl]amino]piperidin-1-yl]acetamide;hydroiodide
CID 111990738
2-[4-[[N'-methyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide
CID 111990775
N-methyl-2-[4-(naphthalen-1-ylmethylamino)piperidin-1-yl]acetamide;hydrochloride
CID 51079563
1-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191
2-methyl-1-(naphthalen-1-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 111978331

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide?
The IUPAC name of 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide (CID 111978071) is 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide.
What is the SMILES notation for 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide?
The canonical SMILES for 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide is CCCNC(=O)CN1CCC(N/C(=N/C)NCc2cccc3ccccc23)CC1.I.
What is the InChIKey of 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide?
The InChIKey is FOMIAIFYQRTWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O.HI/c1-3-13-25-22(29)17-28-14-11-20(12-15-28)27-23(24-2)26-16-19-9-6-8-18-7-4-5-10-21(18)19;/h4-10,20H,3,11-17H2,1-2H3,(H,25,29)(H2,24,26,27);1H.
What are the key properties of 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide?
2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide has a molecular weight of 523.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[N'-methyl-N-(naphthalen-1-ylmethyl)carbamimidoyl]amino]piperidin-1-yl]-N-propylacetamide;hydroiodide is sourced from PubChem (CID 111978071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).