N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide

C17H35N5O — CID 111416899

IUPACN,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CCN1CCCCC1)NCCC(=O)N(CC)CC
InChIInChI=1S/C17H35N5O/c1-4-18-17(19-11-10-16(23)22(5-2)6-3)20-12-15-21-13-8-7-9-14-21/h4-15H2,1-3H3,(H2,18,19,20)
InChIKeyQQTLYZHUTPSMQW-UHFFFAOYSA-N
MW325.50 g/mol
LogP1.29
Rot. Bonds9

About N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide

N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide (PubChem CID 111416899) has the molecular formula C17H35N5O and a molecular weight of 325.50 g/mol. Its IUPAC name is N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide
PubChem CID111416899
Molecular FormulaC17H35N5O
Molecular Weight325.50 g/mol
Exact Mass325.28
IUPAC NameN,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CCN1CCCCC1)NCCC(=O)N(CC)CC
InChIInChI=1S/C17H35N5O/c1-4-18-17(19-11-10-16(23)22(5-2)6-3)20-12-15-21-13-8-7-9-14-21/h4-15H2,1-3H3,(H2,18,19,20)
InChIKeyQQTLYZHUTPSMQW-UHFFFAOYSA-N
XLogP1.29
TPSA59.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 51.29
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,N-diethyl-3-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide
CID 111387892
N,N-diethyl-3-[[N-ethyl-N'-[(1-propylpiperidin-4-yl)methyl]carbamimidoyl]amino]propanamide
CID 111942127
N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129261
methyl 3-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]propanoate
CID 111325366
2-[2-(azepan-1-yl)ethyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896855
3-[[N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942138
3-[[N'-[4-(4-benzylpiperazin-1-yl)butyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942216
N,N-diethyl-3-[[N-ethyl-N'-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]carbamimidoyl]amino]propanamide
CID 111942035
1-ethyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111415707
1-ethyl-3-(2-ethylsulfonylethyl)-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111417330
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-(2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111415446
1-ethyl-2-(3-methylsulfonylpropyl)-3-(2-piperidin-1-ylethyl)guanidine
CID 111415167

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide (CID 111416899) is N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide is CCN/C(=N\CCN1CCCCC1)NCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide?
The InChIKey is QQTLYZHUTPSMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N5O/c1-4-18-17(19-11-10-16(23)22(5-2)6-3)20-12-15-21-13-8-7-9-14-21/h4-15H2,1-3H3,(H2,18,19,20).
What are the key properties of N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide?
N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide has a molecular weight of 325.50 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 111416899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).