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

C20H40N6O2 — CID 111021069

IUPAC1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C20H40N6O2/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)
InChIKeyUCRJGYSDFMUSJA-UHFFFAOYSA-N
MW396.58 g/mol
LogP0.24
Rot. Bonds10

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

1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide (PubChem CID 111021069) has the molecular formula C20H40N6O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
PubChem CID111021069
Molecular FormulaC20H40N6O2
Molecular Weight396.58 g/mol
Exact Mass396.32
IUPAC Name1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCCCCN1CCC(C(N)=O)CC1
InChIInChI=1S/C20H40N6O2/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)
InChIKeyUCRJGYSDFMUSJA-UHFFFAOYSA-N
XLogP0.24
TPSA95.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 50.24
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'}

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

N'-methyl-4-(morpholine-4-carbonyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboximidamide
CID 111984611
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
N'-methyl-4-(morpholine-4-carbonyl)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
CID 112439371
N'-methyl-4-(morpholine-4-carbonyl)-N-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide
CID 112439372
N-ethyl-4-(morpholine-4-carbonyl)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide;hydroiodide
CID 112439401
N-ethyl-4-(morpholine-4-carbonyl)-N'-(5,5,5-trifluoropentyl)piperidine-1-carboximidamide
CID 112439402
N-(4-cyano-1-methylpiperidin-4-yl)-2-[[(ethylcarbamoylamino)-morpholin-4-ylmethylidene]amino]-4-methylpentanamide
CID 91126486

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide (CID 111021069) is 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide is CCN/C(=N\CC(C)N1CCOCC1)NCCCCN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide?
The InChIKey is UCRJGYSDFMUSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6O2/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).
What are the key properties of 1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide?
1-[4-[[N-ethyl-N'-(2-morpholin-4-ylpropyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 0.24, 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 is sourced from PubChem (CID 111021069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).