N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide

C21H43N5 — CID 109490448

IUPACN',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC(C(C)C)N2CCN(C)CC2)C1
InChIInChI=1S/C21H43N5/c1-7-9-21(4)10-8-11-26(17-21)20(22-5)23-16-19(18(2)3)25-14-12-24(6)13-15-25/h18-19H,7-17H2,1-6H3,(H,22,23)
InChIKeyKXTATEJPMYWSMC-UHFFFAOYSA-N
MW365.61 g/mol
LogP2.74
Rot. Bonds6

About N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide

N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide (PubChem CID 109490448) has the molecular formula C21H43N5 and a molecular weight of 365.61 g/mol. Its IUPAC name is N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
PubChem CID109490448
Molecular FormulaC21H43N5
Molecular Weight365.61 g/mol
Exact Mass365.35
IUPAC NameN',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide
SMILESCCCC1(C)CCCN(/C(=N/C)NCC(C(C)C)N2CCN(C)CC2)C1
InChIInChI=1S/C21H43N5/c1-7-9-21(4)10-8-11-26(17-21)20(22-5)23-16-19(18(2)3)25-14-12-24(6)13-15-25/h18-19H,7-17H2,1-6H3,(H,22,23)
InChIKeyKXTATEJPMYWSMC-UHFFFAOYSA-N
XLogP2.74
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',3-dimethyl-N-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490733
N-(2,2-difluoroethyl)-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490573
N-[2-(4-ethylpiperazin-1-yl)propyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490096
N-ethyl-3-methyl-N'-[2-(4-methylpiperazin-1-yl)propyl]-3-propylpiperidine-1-carboximidamide
CID 109490117
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N',3-dimethyl-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490397
2-methyl-N-[2-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]ethyl]propanamide
CID 109490153
N',3-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490865
N-butan-2-yl-3-[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]propanamide;hydroiodide
CID 109490182
N-ethyl-N'-[2-(4-ethylpiperazin-1-yl)propyl]-3-methyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490945
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490254
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490210

Frequently Asked Questions

What is the IUPAC name of N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide?
The IUPAC name of N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide (CID 109490448) is N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide.
What is the SMILES notation for N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide?
The canonical SMILES for N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide is CCCC1(C)CCCN(/C(=N/C)NCC(C(C)C)N2CCN(C)CC2)C1.
What is the InChIKey of N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide?
The InChIKey is KXTATEJPMYWSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N5/c1-7-9-21(4)10-8-11-26(17-21)20(22-5)23-16-19(18(2)3)25-14-12-24(6)13-15-25/h18-19H,7-17H2,1-6H3,(H,22,23).
What are the key properties of N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide?
N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide has a molecular weight of 365.61 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-propylpiperidine-1-carboximidamide is sourced from PubChem (CID 109490448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).