N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide

C20H33N5O — CID 111242223

IUPACN-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC(C1CC1)N(C)C)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H33N5O/c1-21-20(22-15-19(23(2)3)16-5-6-16)25-13-11-24(12-14-25)17-7-9-18(26-4)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,21,22)
InChIKeyRFVLFJYXWOCVKW-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.73
Rot. Bonds6

About N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide

N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 111242223) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID111242223
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(\NCC(C1CC1)N(C)C)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C20H33N5O/c1-21-20(22-15-19(23(2)3)16-5-6-16)25-13-11-24(12-14-25)17-7-9-18(26-4)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,21,22)
InChIKeyRFVLFJYXWOCVKW-UHFFFAOYSA-N
XLogP1.73
TPSA43.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-cyclopropyl-2-(dimethylamino)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide;hydroiodide
CID 110962048
3-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-[(4-methoxyphenyl)methyl]-1,2-dimethylguanidine
CID 111271457
4-(4-methoxyphenyl)-N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111242058
N'-[2-cyclopropyl-2-(dimethylamino)ethyl]-N-ethyl-4-(3-methoxyphenyl)piperazine-1-carboximidamide
CID 111290149
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-N'-methyl-4-phenylpiperazine-1-carboximidamide
CID 110961581
4-(4-methoxyphenyl)-N'-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide
CID 111242727
4-(4-methoxyphenyl)-N'-methyl-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111242887
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111242945
methyl 4-[[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzoate
CID 111242083
N-[4-(2-methoxyethoxy)butyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111242357
N-[2-(2-butoxyethoxy)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111499422
1-[3-[[C-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111242160

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide (CID 111242223) is N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(\NCC(C1CC1)N(C)C)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is RFVLFJYXWOCVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-21-20(22-15-19(23(2)3)16-5-6-16)25-13-11-24(12-14-25)17-7-9-18(26-4)10-8-17/h7-10,16,19H,5-6,11-15H2,1-4H3,(H,21,22).
What are the key properties of N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide?
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 359.52 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 111242223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).