7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid

C15H29N3O3 — CID 62547378

IUPAC7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
SMILESCN1CCCC(N(C)C(=O)NCCCCCCC(=O)O)C1
InChIInChI=1S/C15H29N3O3/c1-17-11-7-8-13(12-17)18(2)15(21)16-10-6-4-3-5-9-14(19)20/h13H,3-12H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyVVMHAAGXUOYHAY-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.76
Rot. Bonds8

About 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid

7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid (PubChem CID 62547378) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
PubChem CID62547378
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
SMILESCN1CCCC(N(C)C(=O)NCCCCCCC(=O)O)C1
InChIInChI=1S/C15H29N3O3/c1-17-11-7-8-13(12-17)18(2)15(21)16-10-6-4-3-5-9-14(19)20/h13H,3-12H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyVVMHAAGXUOYHAY-UHFFFAOYSA-N
XLogP1.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
1-methyl-1-(1-methylpiperidin-3-yl)-3-propylurea
CID 116655563
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
1-methyl-1-(1-methylpiperidin-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 116655575
1-[[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312531
4-amino-5-[methyl-(1-methylpiperidin-3-yl)amino]-5-oxopentanoic acid
CID 64889930
3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 62547194
7-[[(2-hydroxycyclohexyl)-methylcarbamoyl]amino]heptanoic acid
CID 102633440
3-cyclopropyl-3-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 82002419
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)pentanamide
CID 62546411
2-ethyl-2-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]butanoic acid
CID 79804578

Frequently Asked Questions

What is the IUPAC name of 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid?
The IUPAC name of 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid (CID 62547378) is 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid is CN1CCCC(N(C)C(=O)NCCCCCCC(=O)O)C1.
What is the InChIKey of 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid?
The InChIKey is VVMHAAGXUOYHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-17-11-7-8-13(12-17)18(2)15(21)16-10-6-4-3-5-9-14(19)20/h13H,3-12H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid?
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid has a molecular weight of 299.42 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid is sourced from PubChem (CID 62547378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).