N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide

C23H43N5 — CID 111996739

IUPACN'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCC1(N2CCCCC2)CCN(C)CC1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C23H43N5/c1-24-21(27-18-11-22(20-27)9-5-3-6-10-22)25-19-23(12-16-26(2)17-13-23)28-14-7-4-8-15-28/h3-20H2,1-2H3,(H,24,25)
InChIKeyAHQAIYMKMFYUCG-UHFFFAOYSA-N
MW389.63 g/mol
LogP3.17
Rot. Bonds3

About N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide

N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide (PubChem CID 111996739) has the molecular formula C23H43N5 and a molecular weight of 389.63 g/mol. Its IUPAC name is N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
PubChem CID111996739
Molecular FormulaC23H43N5
Molecular Weight389.63 g/mol
Exact Mass389.35
IUPAC NameN'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
SMILESC/N=C(\NCC1(N2CCCCC2)CCN(C)CC1)N1CCC2(CCCCC2)C1
InChIInChI=1S/C23H43N5/c1-24-21(27-18-11-22(20-27)9-5-3-6-10-22)25-19-23(12-16-26(2)17-13-23)28-14-7-4-8-15-28/h3-20H2,1-2H3,(H,24,25)
InChIKeyAHQAIYMKMFYUCG-UHFFFAOYSA-N
XLogP3.17
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 53.17
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'}

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Related Compounds

N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119152904
N'-methyl-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119156536
N',4-dimethyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperidine-1-carboximidamide
CID 111497443
4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119139362
N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111492334
N'-methyl-N-(2-piperidin-1-ylethyl)-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 111745057
N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119152828
N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111996894
1,2-dimethyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111465417
N,N'-dimethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111744241
2-methyl-1-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111497225
N'-methyl-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745338

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The IUPAC name of N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide (CID 111996739) is N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The canonical SMILES for N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide is C/N=C(\NCC1(N2CCCCC2)CCN(C)CC1)N1CCC2(CCCCC2)C1.
What is the InChIKey of N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
The InChIKey is AHQAIYMKMFYUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N5/c1-24-21(27-18-11-22(20-27)9-5-3-6-10-22)25-19-23(12-16-26(2)17-13-23)28-14-7-4-8-15-28/h3-20H2,1-2H3,(H,24,25).
What are the key properties of N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide?
N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide has a molecular weight of 389.63 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide is sourced from PubChem (CID 111996739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).