N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

C18H33F3N4O — CID 109377453

IUPACN-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC1(CCOC)CCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C18H33F3N4O/c1-15(18(19,20)21)24-9-11-25(12-10-24)16(22-2)23-14-17(8-13-26-3)6-4-5-7-17/h15H,4-14H2,1-3H3,(H,22,23)
InChIKeyXSGVDCUYXZDPFV-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.73
Rot. Bonds6

About N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide

N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (PubChem CID 109377453) has the molecular formula C18H33F3N4O and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
PubChem CID109377453
Molecular FormulaC18H33F3N4O
Molecular Weight378.48 g/mol
Exact Mass378.26
IUPAC NameN-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
SMILESC/N=C(\NCC1(CCOC)CCCC1)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C18H33F3N4O/c1-15(18(19,20)21)24-9-11-25(12-10-24)16(22-2)23-14-17(8-13-26-3)6-4-5-7-17/h15H,4-14H2,1-3H3,(H,22,23)
InChIKeyXSGVDCUYXZDPFV-UHFFFAOYSA-N
XLogP2.73
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide (CID 109377453) is N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is C/N=C(\NCC1(CCOC)CCCC1)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
The InChIKey is XSGVDCUYXZDPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F3N4O/c1-15(18(19,20)21)24-9-11-25(12-10-24)16(22-2)23-14-17(8-13-26-3)6-4-5-7-17/h15H,4-14H2,1-3H3,(H,22,23).
What are the key properties of N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide?
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide has a molecular weight of 378.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide is sourced from PubChem (CID 109377453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).