N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide

C20H35N5O2 — CID 111300909

IUPACN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H35N5O2/c1-2-21-20(22-14-16-7-8-25(15-16)17-5-6-17)24-11-9-23(10-12-24)19(26)18-4-3-13-27-18/h16-18H,2-15H2,1H3,(H,21,22)
InChIKeyUOUNKXADQXKUCK-UHFFFAOYSA-N
MW377.53 g/mol
LogP0.76
Rot. Bonds5

About N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide

N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide (PubChem CID 111300909) has the molecular formula C20H35N5O2 and a molecular weight of 377.53 g/mol. Its IUPAC name is N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
PubChem CID111300909
Molecular FormulaC20H35N5O2
Molecular Weight377.53 g/mol
Exact Mass377.28
IUPAC NameN'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
SMILESCCN/C(=N\CC1CCN(C2CC2)C1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H35N5O2/c1-2-21-20(22-14-16-7-8-25(15-16)17-5-6-17)24-11-9-23(10-12-24)19(26)18-4-3-13-27-18/h16-18H,2-15H2,1H3,(H,21,22)
InChIKeyUOUNKXADQXKUCK-UHFFFAOYSA-N
XLogP0.76
TPSA60.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 50.76
H-Bond Donors ≤ 51
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'-(cyclobutylmethyl)-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131773
N-ethyl-4-(oxolane-2-carbonyl)-N'-[(1-propylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111300710
N-ethyl-N'-[(3-methylcyclohexyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302687
N-ethyl-N'-[(2-methylcyclopropyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119131869
N-ethyl-4-(oxolane-2-carbonyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 111302220
N-ethyl-N'-(2-ethylbutyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111984313
N-ethyl-N'-(2-ethylbutyl)-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111984312
N-ethyl-N'-[(1-methylcyclopropyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 119161331
N'-(2-butoxyethyl)-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide
CID 111302935
methyl 1-[N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111252670
methyl 5-[[ethylamino-[4-(oxolane-2-carbonyl)piperazin-1-yl]methylidene]amino]pentanoate
CID 111300333
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145255

Frequently Asked Questions

What is the IUPAC name of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide?
The IUPAC name of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide (CID 111300909) is N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide is CCN/C(=N\CC1CCN(C2CC2)C1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide?
The InChIKey is UOUNKXADQXKUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O2/c1-2-21-20(22-14-16-7-8-25(15-16)17-5-6-17)24-11-9-23(10-12-24)19(26)18-4-3-13-27-18/h16-18H,2-15H2,1H3,(H,21,22).
What are the key properties of N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide?
N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide has a molecular weight of 377.53 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-cyclopropylpyrrolidin-3-yl)methyl]-N-ethyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111300909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).