1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one

C18H28N2O2 — CID 119561175

IUPAC1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
SMILESCNC1CCN(C(=O)CCCCOc2cccc(C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-15-6-5-7-17(14-15)22-13-4-3-8-18(21)20-11-9-16(19-2)10-12-20/h5-7,14,16,19H,3-4,8-13H2,1-2H3
InChIKeyXRSZFQYDLAVYPA-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.75
Rot. Bonds7

About 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one

1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one (PubChem CID 119561175) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one.

Molecular Properties

Compound Name1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
PubChem CID119561175
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
SMILESCNC1CCN(C(=O)CCCCOc2cccc(C)c2)CC1
InChIInChI=1S/C18H28N2O2/c1-15-6-5-7-17(14-15)22-13-4-3-8-18(21)20-11-9-16(19-2)10-12-20/h5-7,14,16,19H,3-4,8-13H2,1-2H3
InChIKeyXRSZFQYDLAVYPA-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.75
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-aminopiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 119374179
1-[3-(methylamino)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 81466275
2-[1-[5-(3-methylphenoxy)pentanoyl]piperidin-4-yl]acetic acid
CID 119178022
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(3-methylphenoxy)pentan-1-one
CID 120819975
2-[1-[4-(3-methylphenoxy)butanoyl]piperidin-4-yl]acetamide
CID 56813577
3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
(3R)-1-[5-(3-methylphenoxy)pentanoyl]piperidine-3-carboxylic acid
CID 124576583
1-[4-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678009
1-[3-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 24708517
1-[3-(1-aminoethyl)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119594107

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one?
The IUPAC name of 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one (CID 119561175) is 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one.
What is the SMILES notation for 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one?
The canonical SMILES for 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one is CNC1CCN(C(=O)CCCCOc2cccc(C)c2)CC1.
What is the InChIKey of 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one?
The InChIKey is XRSZFQYDLAVYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-6-5-7-17(14-15)22-13-4-3-8-18(21)20-11-9-16(19-2)10-12-20/h5-7,14,16,19H,3-4,8-13H2,1-2H3.
What are the key properties of 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one?
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one has a molecular weight of 304.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one is sourced from PubChem (CID 119561175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).