N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide

C21H29N5O2 — CID 120913558

IUPACN'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(N3C(=O)NC(C)(C4CC4)C3=O)cc2)C1
InChIInChI=1S/C21H29N5O2/c1-14-4-3-11-25(13-14)19(22)23-12-15-5-9-17(10-6-15)26-18(27)21(2,16-7-8-16)24-20(26)28/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3,(H2,22,23)(H,24,28)
InChIKeyIOASIVSGZBHHRH-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.46
Rot. Bonds4

About N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide

N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide (PubChem CID 120913558) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
PubChem CID120913558
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide
SMILESCC1CCCN(/C(N)=N/Cc2ccc(N3C(=O)NC(C)(C4CC4)C3=O)cc2)C1
InChIInChI=1S/C21H29N5O2/c1-14-4-3-11-25(13-14)19(22)23-12-15-5-9-17(10-6-15)26-18(27)21(2,16-7-8-16)24-20(26)28/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3,(H2,22,23)(H,24,28)
InChIKeyIOASIVSGZBHHRH-UHFFFAOYSA-N
XLogP2.46
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]azepane-1-carboximidamide;hydroiodide
CID 120913547
2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 120913541
N'-[[3-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-4-methylpiperidine-1-carboximidamide
CID 120913380
1-tert-butyl-2-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]guanidine
CID 120913562
N'-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111816739
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]benzamide
CID 111030232
3-methyl-N'-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1-carboximidamide
CID 111063356
(5R)-3-[4-(aminomethyl)phenyl]-5-cyclopropyl-5-methylimidazolidine-2,4-dione
CID 124585523
3-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111037394
N'-[(3-chloro-4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111045706
4-[[[amino-(3-methylpiperidin-1-yl)methylidene]amino]methyl]-N,N-diethylbenzamide;hydroiodide
CID 111048307
N'-[(2-methoxy-4-pyridinyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111041610

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide (CID 120913558) is N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide is CC1CCCN(/C(N)=N/Cc2ccc(N3C(=O)NC(C)(C4CC4)C3=O)cc2)C1.
What is the InChIKey of N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide?
The InChIKey is IOASIVSGZBHHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14-4-3-11-25(13-14)19(22)23-12-15-5-9-17(10-6-15)26-18(27)21(2,16-7-8-16)24-20(26)28/h5-6,9-10,14,16H,3-4,7-8,11-13H2,1-2H3,(H2,22,23)(H,24,28).
What are the key properties of N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide?
N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide has a molecular weight of 383.50 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 120913558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).