1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine

C19H35N5O2 — CID 119156311

IUPAC1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
SMILESCCN/C(=N\CC1(N2CCCC2)CCOCC1)NC1CCC(=O)N(C)C1
InChIInChI=1S/C19H35N5O2/c1-3-20-18(22-16-6-7-17(25)23(2)14-16)21-15-19(8-12-26-13-9-19)24-10-4-5-11-24/h16H,3-15H2,1-2H3,(H2,20,21,22)
InChIKeyHGXMSGRWBWZDRZ-UHFFFAOYSA-N
MW365.52 g/mol
LogP0.81
Rot. Bonds5

About 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine

1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine (PubChem CID 119156311) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
PubChem CID119156311
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
SMILESCCN/C(=N\CC1(N2CCCC2)CCOCC1)NC1CCC(=O)N(C)C1
InChIInChI=1S/C19H35N5O2/c1-3-20-18(22-16-6-7-17(25)23(2)14-16)21-15-19(8-12-26-13-9-19)24-10-4-5-11-24/h16H,3-15H2,1-2H3,(H2,20,21,22)
InChIKeyHGXMSGRWBWZDRZ-UHFFFAOYSA-N
XLogP0.81
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(1-hydroxycyclobutyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119156266
1-ethyl-3-propan-2-yl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 111834702
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-(1-methyl-6-oxopiperidin-3-yl)guanidine
CID 119155463
1-tert-butyl-3-ethyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine;hydroiodide
CID 119140085
2-(2-cyclohexyl-2-hydroxyethyl)-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 119155210
1-ethyl-3-pentyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine
CID 111834789
2-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111995518
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-(thian-4-ylmethyl)guanidine;hydroiodide
CID 119158630
1-ethyl-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109475094
2-[4-[[N-ethyl-N'-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]carbamimidoyl]amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 111994955
N-ethyl-3,5-dimethyl-N'-[(4-pyrrolidin-1-yloxan-4-yl)methyl]piperidine-1-carboximidamide
CID 119155797
2-[(4-tert-butylphenyl)methyl]-1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)guanidine;hydroiodide
CID 111978397

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine?
The IUPAC name of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine (CID 119156311) is 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine?
The canonical SMILES for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine is CCN/C(=N\CC1(N2CCCC2)CCOCC1)NC1CCC(=O)N(C)C1.
What is the InChIKey of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine?
The InChIKey is HGXMSGRWBWZDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-3-20-18(22-16-6-7-17(25)23(2)14-16)21-15-19(8-12-26-13-9-19)24-10-4-5-11-24/h16H,3-15H2,1-2H3,(H2,20,21,22).
What are the key properties of 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine?
1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine has a molecular weight of 365.52 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methyl-6-oxopiperidin-3-yl)-2-[(4-pyrrolidin-1-yloxan-4-yl)methyl]guanidine is sourced from PubChem (CID 119156311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).