4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide

C20H39IN6O — CID 119139362

IUPAC4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(N2CCCCC2)CCN(C)CC1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C20H38N6O.HI/c1-18(27)24-13-15-25(16-14-24)19(21-2)22-17-20(7-11-23(3)12-8-20)26-9-5-4-6-10-26;/h4-17H2,1-3H3,(H,21,22);1H
InChIKeyGFSZMBGQUQFBFI-UHFFFAOYSA-N
MW506.48 g/mol
LogP1.29
Rot. Bonds3

About 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide

4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 119139362) has the molecular formula C20H39IN6O and a molecular weight of 506.48 g/mol. Its IUPAC name is 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID119139362
Molecular FormulaC20H39IN6O
Molecular Weight506.48 g/mol
Exact Mass506.22
IUPAC Name4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCC1(N2CCCCC2)CCN(C)CC1)N1CCN(C(C)=O)CC1.I
InChIInChI=1S/C20H38N6O.HI/c1-18(27)24-13-15-25(16-14-24)19(21-2)22-17-20(7-11-23(3)12-8-20)26-9-5-4-6-10-26;/h4-17H2,1-3H3,(H,21,22);1H
InChIKeyGFSZMBGQUQFBFI-UHFFFAOYSA-N
XLogP1.29
TPSA54.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.48
LogP ≤ 51.29
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide with MolForge

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Related Compounds

N',4-dimethyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperidine-1-carboximidamide
CID 111497443
4-acetyl-N'-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119160236
4-acetyl-N-ethyl-N'-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111493491
N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-2-azaspiro[4.5]decane-2-carboximidamide
CID 111996739
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]-8-oxa-2-azaspiro[4.5]decane-2-carboximidamide;hydroiodide
CID 119152904
1,2-dimethyl-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111465417
N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111996894
N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
CID 111492334
(2R)-2-amino-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]propanamide;trihydrochloride
CID 119903533
N'-methyl-4-(3-methylphenyl)-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide
CID 111497997
3-(ethoxymethyl)-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111997198

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 119139362) is 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide is C/N=C(/NCC1(N2CCCCC2)CCN(C)CC1)N1CCN(C(C)=O)CC1.I.
What is the InChIKey of 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is GFSZMBGQUQFBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N6O.HI/c1-18(27)24-13-15-25(16-14-24)19(21-2)22-17-20(7-11-23(3)12-8-20)26-9-5-4-6-10-26;/h4-17H2,1-3H3,(H,21,22);1H.
What are the key properties of 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide?
4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 506.48 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119139362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).