N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide

C24H41N5O2 — CID 111997877

IUPACN-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCCOC1CCN(Cc2ccccc2)CC1)NCCNC(=O)C(C)C
InChIInChI=1S/C24H41N5O2/c1-4-25-24(28-15-14-26-23(30)20(2)3)27-13-8-18-31-22-11-16-29(17-12-22)19-21-9-6-5-7-10-21/h5-7,9-10,20,22H,4,8,11-19H2,1-3H3,(H,26,30)(H2,25,27,28)
InChIKeyDMZLKSGBGXEYFP-UHFFFAOYSA-N
MW431.63 g/mol
LogP2.38
Rot. Bonds12

About N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide

N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide (PubChem CID 111997877) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
PubChem CID111997877
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC NameN-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
SMILESCCN/C(=N\CCCOC1CCN(Cc2ccccc2)CC1)NCCNC(=O)C(C)C
InChIInChI=1S/C24H41N5O2/c1-4-25-24(28-15-14-26-23(30)20(2)3)27-13-8-18-31-22-11-16-29(17-12-22)19-21-9-6-5-7-10-21/h5-7,9-10,20,22H,4,8,11-19H2,1-3H3,(H,26,30)(H2,25,27,28)
InChIKeyDMZLKSGBGXEYFP-UHFFFAOYSA-N
XLogP2.38
TPSA77.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

Analyze N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1,3-diethylguanidine
CID 111752012
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111999114
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111967612
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-ethyl-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111967300
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-ethyl-2-(oxolan-2-ylmethyl)guanidine
CID 111966887
1-[3-(1-benzylpiperidin-4-yl)oxypropyl]-3-ethyl-2-[(1-hydroxycyclohexyl)methyl]guanidine;hydroiodide
CID 111997536
2-(3-cyclopentyloxypropyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111136114
1-(1-benzylpiperidin-4-yl)-3-ethyl-2-(3-propan-2-yloxypropyl)guanidine;hydroiodide
CID 110986581
1-[2-(4-benzylpiperazin-1-yl)ethyl]-3-ethyl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111406856
N-[2-[[N'-[4-(4-benzylpiperazin-1-yl)butyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111928231
2-[3-(1-benzylpiperidin-4-yl)oxypropyl]guanidine
CID 111751948
2-amino-N-[3-(1-benzylpiperidin-4-yl)oxypropyl]-2-phenylacetamide;dihydrochloride
CID 119897800

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide (CID 111997877) is N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide is CCN/C(=N\CCCOC1CCN(Cc2ccccc2)CC1)NCCNC(=O)C(C)C.
What is the InChIKey of N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide?
The InChIKey is DMZLKSGBGXEYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2/c1-4-25-24(28-15-14-26-23(30)20(2)3)27-13-8-18-31-22-11-16-29(17-12-22)19-21-9-6-5-7-10-21/h5-7,9-10,20,22H,4,8,11-19H2,1-3H3,(H,26,30)(H2,25,27,28).
What are the key properties of N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide?
N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide has a molecular weight of 431.63 g/mol, XLogP of 2.38, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-[3-(1-benzylpiperidin-4-yl)oxypropyl]-N-ethylcarbamimidoyl]amino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 111997877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).