1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine

C24H41N5O2 — CID 111020913

IUPAC1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCC(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C24H41N5O2/c1-4-25-24(26-18-20(2)28-14-16-31-17-15-28)27-19-22(29-12-8-5-9-13-29)21-10-6-7-11-23(21)30-3/h6-7,10-11,20,22H,4-5,8-9,12-19H2,1-3H3,(H2,25,26,27)
InChIKeyKLSJYWOXDPMIJA-UHFFFAOYSA-N
MW431.63 g/mol
LogP2.50
Rot. Bonds9

About 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine

1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine (PubChem CID 111020913) has the molecular formula C24H41N5O2 and a molecular weight of 431.63 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine
PubChem CID111020913
Molecular FormulaC24H41N5O2
Molecular Weight431.63 g/mol
Exact Mass431.33
IUPAC Name1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CC(C)N1CCOCC1)NCC(c1ccccc1OC)N1CCCCC1
InChIInChI=1S/C24H41N5O2/c1-4-25-24(26-18-20(2)28-14-16-31-17-15-28)27-19-22(29-12-8-5-9-13-29)21-10-6-7-11-23(21)30-3/h6-7,10-11,20,22H,4-5,8-9,12-19H2,1-3H3,(H2,25,26,27)
InChIKeyKLSJYWOXDPMIJA-UHFFFAOYSA-N
XLogP2.50
TPSA61.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.63
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-ethyl-2-[2-(4-ethylpiperazin-1-yl)propyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111322396
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111021664
methyl 3-[[ethylamino-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111322717
1-ethyl-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine
CID 111007155
1-ethyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-[(3-methyloxetan-3-yl)methyl]guanidine
CID 111830473
1-ethyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111260204
2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethyl-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111322904
1-ethyl-2-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111322773
N-tert-butyl-2-[[ethylamino-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methylidene]amino]acetamide
CID 111384195
1-ethyl-3-[2-(4-methoxyphenoxy)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111787870
1-ethyl-3-[2-(furan-2-yl)-2-hydroxyethyl]-2-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111322883
1-cyclopropyl-3-ethyl-2-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110987955

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine (CID 111020913) is 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CC(C)N1CCOCC1)NCC(c1ccccc1OC)N1CCCCC1.
What is the InChIKey of 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
The InChIKey is KLSJYWOXDPMIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5O2/c1-4-25-24(26-18-20(2)28-14-16-31-17-15-28)27-19-22(29-12-8-5-9-13-29)21-10-6-7-11-23(21)30-3/h6-7,10-11,20,22H,4-5,8-9,12-19H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine?
1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine has a molecular weight of 431.63 g/mol, XLogP of 2.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111020913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).