N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide

C20H32N4O2 — CID 111290235

IUPACN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(O)CCCC1)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C20H32N4O2/c1-3-21-19(22-16-20(25)9-4-5-10-20)24-13-11-23(12-14-24)17-7-6-8-18(15-17)26-2/h6-8,15,25H,3-5,9-14,16H2,1-2H3,(H,21,22)
InChIKeyJKPKCWZWZQRAFC-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.09
Rot. Bonds5

About N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide

N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide (PubChem CID 111290235) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide
PubChem CID111290235
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1(O)CCCC1)N1CCN(c2cccc(OC)c2)CC1
InChIInChI=1S/C20H32N4O2/c1-3-21-19(22-16-20(25)9-4-5-10-20)24-13-11-23(12-14-24)17-7-6-8-18(15-17)26-2/h6-8,15,25H,3-5,9-14,16H2,1-2H3,(H,21,22)
InChIKeyJKPKCWZWZQRAFC-UHFFFAOYSA-N
XLogP2.09
TPSA60.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.09
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

N-ethyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290436
N-ethyl-4-(3-methoxyphenyl)-N'-[(2,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111290962
methyl 3-[[ethylamino-[4-(3-methoxyphenyl)piperazin-1-yl]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111290666
N-ethyl-4-(3-methoxyphenyl)-N'-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111290858
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboximidamide
CID 111363347
N-[2-[[ethylamino-[4-(3-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111290836
2-[[ethylamino-[4-(3-methoxyphenyl)piperazin-1-yl]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111290890
N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-4-(3-methoxyphenyl)piperazine-1-carboximidamide
CID 111290149
N-ethyl-N'-[3-(methanesulfonamido)propyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide
CID 111290433
N-ethyl-N'-[(1-hydroxycyclohexyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206787
N-ethyl-4-(3-methoxyphenyl)-N'-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboximidamide
CID 111290549
N-ethyl-4-(3-methoxyphenyl)-N'-(4-morpholin-4-ylbutyl)piperazine-1-carboximidamide
CID 111290767

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide (CID 111290235) is N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide is CCN/C(=N\CC1(O)CCCC1)N1CCN(c2cccc(OC)c2)CC1.
What is the InChIKey of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide?
The InChIKey is JKPKCWZWZQRAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-21-19(22-16-20(25)9-4-5-10-20)24-13-11-23(12-14-24)17-7-6-8-18(15-17)26-2/h6-8,15,25H,3-5,9-14,16H2,1-2H3,(H,21,22).
What are the key properties of N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide?
N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide has a molecular weight of 360.50 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[(1-hydroxycyclopentyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111290235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).