1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide

C20H41IN6O2 — CID 111021068

IUPAC1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCCCN1CCC(C(N)=O)CC1.I
InChIInChI=1S/C20H40N6O2.HI/c1-3-22-20(24-16-17(2)26-12-14-28-15-13-26)23-8-4-5-9-25-10-6-18(7-11-25)19(21)27;/h17-18H,3-16H2,1-2H3,(H2,21,27)(H2,22,23,24);1H
InChIKeyHBEPOLAYUGWQTJ-UHFFFAOYSA-N
MW524.49 g/mol
LogP0.86
Rot. Bonds10

About 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide

1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide (PubChem CID 111021068) has the molecular formula C20H41IN6O2 and a molecular weight of 524.49 g/mol. Its IUPAC name is 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide.

Molecular Properties

Compound Name1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
PubChem CID111021068
Molecular FormulaC20H41IN6O2
Molecular Weight524.49 g/mol
Exact Mass524.23
IUPAC Name1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCCCN1CCC(C(N)=O)CC1.I
InChIInChI=1S/C20H40N6O2.HI/c1-3-22-20(24-16-17(2)26-12-14-28-15-13-26)23-8-4-5-9-25-10-6-18(7-11-25)19(21)27;/h17-18H,3-16H2,1-2H3,(H2,21,27)(H2,22,23,24);1H
InChIKeyHBEPOLAYUGWQTJ-UHFFFAOYSA-N
XLogP0.86
TPSA95.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.49
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide with MolForge

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Related Compounds

1-[4-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109377160
1-[4-[[Ethylamino-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 109379161
1-Ethyl-2-(2-morpholin-4-ylpropyl)-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 111968296
N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111984610
N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide;hydroiodide
CID 111984614
N-ethyl-4-(morpholine-4-carbonyl)-N'-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111984615
N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 112019728
N'-methyl-N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 112019729
N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide;hydroiodide
CID 112019732
N-ethyl-N'-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 112019733
2-Methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 112057980
1-Ethyl-2-[2-(3-methylmorpholin-4-yl)propyl]-3-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]guanidine;hydroiodide
CID 112057993

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide?
The IUPAC name of 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide (CID 111021068) is 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide.
What is the SMILES notation for 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide?
The canonical SMILES for 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide is CCN/C(=N\CC(C)N1CCOCC1)NCCCCN1CCC(C(N)=O)CC1.I.
What is the InChIKey of 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide?
The InChIKey is HBEPOLAYUGWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6O2.HI/c1-3-22-20(24-16-17(2)26-12-14-28-15-13-26)23-8-4-5-9-25-10-6-18(7-11-25)19(21)27;/h17-18H,3-16H2,1-2H3,(H2,21,27)(H2,22,23,24);1H.
What are the key properties of 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide?
1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide has a molecular weight of 524.49 g/mol, XLogP of 0.86, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide is sourced from PubChem (CID 111021068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).