N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide

C20H35N7 — CID 111154583

IUPACN',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCCN1CCN(c2ncccn2)CC1)N1CC(C)CC(C)C1
InChIInChI=1S/C20H35N7/c1-17-14-18(2)16-27(15-17)19(21-3)22-8-5-9-25-10-12-26(13-11-25)20-23-6-4-7-24-20/h4,6-7,17-18H,5,8-16H2,1-3H3,(H,21,22)
InChIKeyAIVUIROVGFCLEZ-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.54
Rot. Bonds5

About N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide

N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide (PubChem CID 111154583) has the molecular formula C20H35N7 and a molecular weight of 373.55 g/mol. Its IUPAC name is N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
PubChem CID111154583
Molecular FormulaC20H35N7
Molecular Weight373.55 g/mol
Exact Mass373.30
IUPAC NameN',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCCCN1CCN(c2ncccn2)CC1)N1CC(C)CC(C)C1
InChIInChI=1S/C20H35N7/c1-17-14-18(2)16-27(15-17)19(21-3)22-8-5-9-25-10-12-26(13-11-25)20-23-6-4-7-24-20/h4,6-7,17-18H,5,8-16H2,1-3H3,(H,21,22)
InChIKeyAIVUIROVGFCLEZ-UHFFFAOYSA-N
XLogP1.54
TPSA59.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-3-phenyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-1-carboximidamide
CID 111723831
4-(2-hydroxyphenyl)-N'-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111186234
N'-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733377
N'-methyl-N-(4-morpholin-4-ylbutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206858
N'-methyl-N-(4-morpholin-4-ylbutyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111206857
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 109436371
2-methyl-1-(5-methylhexyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111580346
N',3,5-trimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111154516
N'-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205979
N'-methyl-3-(2-methylpropyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111733988
N'-methyl-N-(3-pyrazol-1-ylpropyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111206750
2-methyl-1-(4-methylsulfanylbutyl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111629150

Frequently Asked Questions

What is the IUPAC name of N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide (CID 111154583) is N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide is C/N=C(\NCCCN1CCN(c2ncccn2)CC1)N1CC(C)CC(C)C1.
What is the InChIKey of N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is AIVUIROVGFCLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N7/c1-17-14-18(2)16-27(15-17)19(21-3)22-8-5-9-25-10-12-26(13-11-25)20-23-6-4-7-24-20/h4,6-7,17-18H,5,8-16H2,1-3H3,(H,21,22).
What are the key properties of N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide?
N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 373.55 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',3,5-trimethyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 111154583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).