N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide

C46H98I2N12O5 — CID 159073259

IUPACN,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide
SMILESC=II.CC(=O)N(C)C1CCN(C)CC1.CC(=O)NC1CCN(C)CC1.CN.CN1CCC(=O)CC1.CN1CCC(N)CC1.CNC1CCN(C)CC1.COC(=O)NC1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C8H16N2O2.C8H16N2O.C7H16N2.C6H14N2.C6H11NO.CH2I2.CH5N/c1-8(12)11(3)9-4-6-10(2)7-5-9;1-10-5-3-7(4-6-10)9-8(11)12-2;1-7(11)9-8-3-5-10(2)6-4-8;1-8-7-3-5-9(2)6-4-7;1-8-4-2-6(7)3-5-8;1-7-4-2-6(8)3-5-7;1-3-2;1-2/h9H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H,9,11);8H,3-6H2,1-2H3,(H,9,11);7-8H,3-6H2,1-2H3;6H,2-5,7H2,1H3;2-5H2,1H3;1H2;2H2,1H3
InChIKeyJZXVZTVDWZPNIH-UHFFFAOYSA-N
MW1153.18 g/mol
LogP3.15
Rot. Bonds4

About N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide

N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 159073259) has the molecular formula C46H98I2N12O5 and a molecular weight of 1153.18 g/mol. Its IUPAC name is N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide
PubChem CID159073259
Molecular FormulaC46H98I2N12O5
Molecular Weight1153.18 g/mol
Exact Mass1152.59
IUPAC NameN,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide
SMILESC=II.CC(=O)N(C)C1CCN(C)CC1.CC(=O)NC1CCN(C)CC1.CN.CN1CCC(=O)CC1.CN1CCC(N)CC1.CNC1CCN(C)CC1.COC(=O)NC1CCN(C)CC1
InChIInChI=1S/C9H18N2O.C8H16N2O2.C8H16N2O.C7H16N2.C6H14N2.C6H11NO.CH2I2.CH5N/c1-8(12)11(3)9-4-6-10(2)7-5-9;1-10-5-3-7(4-6-10)9-8(11)12-2;1-7(11)9-8-3-5-10(2)6-4-8;1-8-7-3-5-9(2)6-4-7;1-8-4-2-6(7)3-5-8;1-7-4-2-6(8)3-5-7;1-3-2;1-2/h9H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H,9,11);8H,3-6H2,1-2H3,(H,9,11);7-8H,3-6H2,1-2H3;6H,2-5,7H2,1H3;2-5H2,1H3;1H2;2H2,1H3
InChIKeyJZXVZTVDWZPNIH-UHFFFAOYSA-N
XLogP3.15
TPSA188.32 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms65
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.18
LogP ≤ 53.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide (CID 159073259) is N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide is C=II.CC(=O)N(C)C1CCN(C)CC1.CC(=O)NC1CCN(C)CC1.CN.CN1CCC(=O)CC1.CN1CCC(N)CC1.CNC1CCN(C)CC1.COC(=O)NC1CCN(C)CC1.
What is the InChIKey of N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is JZXVZTVDWZPNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O.C8H16N2O2.C8H16N2O.C7H16N2.C6H14N2.C6H11NO.CH2I2.CH5N/c1-8(12)11(3)9-4-6-10(2)7-5-9;1-10-5-3-7(4-6-10)9-8(11)12-2;1-7(11)9-8-3-5-10(2)6-4-8;1-8-7-3-5-9(2)6-4-7;1-8-4-2-6(7)3-5-8;1-7-4-2-6(8)3-5-7;1-3-2;1-2/h9H,4-7H2,1-3H3;7H,3-6H2,1-2H3,(H,9,11);8H,3-6H2,1-2H3,(H,9,11);7-8H,3-6H2,1-2H3;6H,2-5,7H2,1H3;2-5H2,1H3;1H2;2H2,1H3.
What are the key properties of N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide?
N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 1153.18 g/mol, XLogP of 3.15, 4 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethylpiperidin-4-amine;iodo(methylidene)-λ3-iodane;methanamine;N-methyl-N-(1-methylpiperidin-4-yl)acetamide;methyl N-(1-methylpiperidin-4-yl)carbamate;1-methylpiperidin-4-amine;1-methylpiperidin-4-one;N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 159073259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).