3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one

C14H28N2O — CID 57097909

IUPAC3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one
SMILESCC(C)CCC(N)C(=O)CC1CCN(C)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)4-5-13(15)14(17)10-12-6-8-16(3)9-7-12/h11-13H,4-10,15H2,1-3H3
InChIKeyQCIVHQVKYDKXOZ-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.05
Rot. Bonds6

About 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one

3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one (PubChem CID 57097909) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one.

Molecular Properties

Compound Name3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one
PubChem CID57097909
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one
SMILESCC(C)CCC(N)C(=O)CC1CCN(C)CC1
InChIInChI=1S/C14H28N2O/c1-11(2)4-5-13(15)14(17)10-12-6-8-16(3)9-7-12/h11-13H,4-10,15H2,1-3H3
InChIKeyQCIVHQVKYDKXOZ-UHFFFAOYSA-N
XLogP2.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
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CID 83983017
2-amino-3-[(1-methylpiperidin-4-yl)methylamino]propanoic acid
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2-(1-methylpiperidin-4-yl)acetyl chloride
CID 13282022
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
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(3R)-3-amino-1-cyclopropylbutan-2-one
CID 96732436
2-(1-methylpyrrolidin-3-yl)acetic acid
CID 19362950
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]acetamide
CID 54956799
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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one?
The IUPAC name of 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one (CID 57097909) is 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one.
What is the SMILES notation for 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one?
The canonical SMILES for 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one is CC(C)CCC(N)C(=O)CC1CCN(C)CC1.
What is the InChIKey of 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one?
The InChIKey is QCIVHQVKYDKXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)4-5-13(15)14(17)10-12-6-8-16(3)9-7-12/h11-13H,4-10,15H2,1-3H3.
What are the key properties of 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one?
3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one has a molecular weight of 240.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-1-(1-methylpiperidin-4-yl)heptan-2-one is sourced from PubChem (CID 57097909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).