1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea

C20H40N4O2 — CID 112829380

IUPAC1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea
SMILESCCC(CC)C(CNC(=O)NCCCN1CCCCC1)N1CCOCC1
InChIInChI=1S/C20H40N4O2/c1-3-18(4-2)19(24-13-15-26-16-14-24)17-22-20(25)21-9-8-12-23-10-6-5-7-11-23/h18-19H,3-17H2,1-2H3,(H2,21,22,25)
InChIKeyVJVLUMPIQQYZGF-UHFFFAOYSA-N
MW368.57 g/mol
LogP2.30
Rot. Bonds10

About 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea

1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea (PubChem CID 112829380) has the molecular formula C20H40N4O2 and a molecular weight of 368.57 g/mol. Its IUPAC name is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea
PubChem CID112829380
Molecular FormulaC20H40N4O2
Molecular Weight368.57 g/mol
Exact Mass368.32
IUPAC Name1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea
SMILESCCC(CC)C(CNC(=O)NCCCN1CCCCC1)N1CCOCC1
InChIInChI=1S/C20H40N4O2/c1-3-18(4-2)19(24-13-15-26-16-14-24)17-22-20(25)21-9-8-12-23-10-6-5-7-11-23/h18-19H,3-17H2,1-2H3,(H2,21,22,25)
InChIKeyVJVLUMPIQQYZGF-UHFFFAOYSA-N
XLogP2.30
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(3-ethyl-2-morpholin-4-ylpentyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111936689
2-(3-ethyl-2-pyrrolidin-1-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine
CID 111042205
6-acetamido-N-(3-ethyl-2-morpholin-4-ylpentyl)hexanamide
CID 55634041
2-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111041688
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(methylamino)butanamide;dihydrochloride
CID 119841667
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
CID 119393081
N-(3-ethyl-2-morpholin-4-ylpentyl)-1,4-thiazepane-4-carboxamide
CID 87003452
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111936253
1-amino-N-(3-ethyl-2-morpholin-4-ylpentyl)cyclopropane-1-carboxamide
CID 119841656
2-(cyclopropylmethylamino)-N-(3-ethyl-2-morpholin-4-ylpentyl)acetamide
CID 119841694
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea (CID 112829380) is 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea is CCC(CC)C(CNC(=O)NCCCN1CCCCC1)N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea?
The InChIKey is VJVLUMPIQQYZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N4O2/c1-3-18(4-2)19(24-13-15-26-16-14-24)17-22-20(25)21-9-8-12-23-10-6-5-7-11-23/h18-19H,3-17H2,1-2H3,(H2,21,22,25).
What are the key properties of 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea?
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea has a molecular weight of 368.57 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 112829380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).