2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide

C17H34N4O — CID 109490153

IUPAC2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCNC(=O)C(C)C)C1
InChIInChI=1S/C17H34N4O/c1-6-8-17(4)9-7-12-21(13-17)16(18-5)20-11-10-19-15(22)14(2)3/h14H,6-13H2,1-5H3,(H,18,20)(H,19,22)
InChIKeyTWCLBKVQCFQCHC-UHFFFAOYSA-N
MW310.49 g/mol
LogP2.24
Rot. Bonds6

About 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide

2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide (PubChem CID 109490153) has the molecular formula C17H34N4O and a molecular weight of 310.49 g/mol. Its IUPAC name is 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
PubChem CID109490153
Molecular FormulaC17H34N4O
Molecular Weight310.49 g/mol
Exact Mass310.27
IUPAC Name2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCCNC(=O)C(C)C)C1
InChIInChI=1S/C17H34N4O/c1-6-8-17(4)9-7-12-21(13-17)16(18-5)20-11-10-19-15(22)14(2)3/h14H,6-13H2,1-5H3,(H,18,20)(H,19,22)
InChIKeyTWCLBKVQCFQCHC-UHFFFAOYSA-N
XLogP2.24
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490616
N-butan-2-yl-3-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 109490182
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]-N-propylacetamide
CID 109490288
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490254
N',3-dimethyl-3-propyl-N-(2-thiomorpholin-4-ylsulfonylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109490206
N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490733
N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
CID 109490448
N',3-dimethyl-3-propyl-N-[2-(pyridin-3-ylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 109490604
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
N-[2-(benzenesulfonyl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490656

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide?
The IUPAC name of 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide (CID 109490153) is 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide is CCCC1(C)CCCN(/C(=N/C)NCCNC(=O)C(C)C)C1.
What is the InChIKey of 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide?
The InChIKey is TWCLBKVQCFQCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O/c1-6-8-17(4)9-7-12-21(13-17)16(18-5)20-11-10-19-15(22)14(2)3/h14H,6-13H2,1-5H3,(H,18,20)(H,19,22).
What are the key properties of 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide?
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide has a molecular weight of 310.49 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide is sourced from PubChem (CID 109490153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).