6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one

C14H26N2O2 — CID 164535566

IUPAC6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one
SMILESCNCC(=O)N1CCC(CCCCC(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-12(17)5-3-4-6-13-7-9-16(10-8-13)14(18)11-15-2/h13,15H,3-11H2,1-2H3
InChIKeyBZKLSFUURJGHFE-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.59
Rot. Bonds7

About 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one

6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one (PubChem CID 164535566) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one.

Molecular Properties

Compound Name6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one
PubChem CID164535566
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one
SMILESCNCC(=O)N1CCC(CCCCC(C)=O)CC1
InChIInChI=1S/C14H26N2O2/c1-12(17)5-3-4-6-13-7-9-16(10-8-13)14(18)11-15-2/h13,15H,3-11H2,1-2H3
InChIKeyBZKLSFUURJGHFE-UHFFFAOYSA-N
XLogP1.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-[4-(2-methoxyethyl)piperidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 146064318
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(methylamino)ethanone;dihydrochloride
CID 119852035
1-[4-(methoxymethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 63977470
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
2-(methylamino)-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 59542495
2-(methylamino)-1-[4-[2-(2-methylpiperidin-1-yl)ethyl]piperidin-1-yl]ethanone
CID 120705054
2-(methylamino)-N-[4-(4-oxopentyl)cyclohexyl]acetamide
CID 167568621
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
13-cyclopentyl-1-pyrrolidin-1-yltridecan-1-one
CID 91705040
N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 121200657

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one?
The IUPAC name of 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one (CID 164535566) is 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one.
What is the SMILES notation for 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one?
The canonical SMILES for 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one is CNCC(=O)N1CCC(CCCCC(C)=O)CC1.
What is the InChIKey of 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one?
The InChIKey is BZKLSFUURJGHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(17)5-3-4-6-13-7-9-16(10-8-13)14(18)11-15-2/h13,15H,3-11H2,1-2H3.
What are the key properties of 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one?
6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one has a molecular weight of 254.37 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(methylamino)acetyl]piperidin-4-yl]hexan-2-one is sourced from PubChem (CID 164535566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).