2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one

C16H24N2O — CID 83971788

IUPAC2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one
SMILESCNC(C)C(=O)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-8-10-18(11-9-12)15-6-4-14(5-7-15)16(19)13(2)17-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyKGHYPBRCSRFHRV-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.71
Rot. Bonds4

About 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one

2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one (PubChem CID 83971788) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one
PubChem CID83971788
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one
SMILESCNC(C)C(=O)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C16H24N2O/c1-12-8-10-18(11-9-12)15-6-4-14(5-7-15)16(19)13(2)17-3/h4-7,12-13,17H,8-11H2,1-3H3
InChIKeyKGHYPBRCSRFHRV-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperidin-1-yl)benzoate
CID 7023615
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
4-[[4-(4-methylpiperidin-1-yl)phenyl]sulfamoyl]benzoic acid
CID 25358953
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-4-nitrobenzamide
CID 99994784
2,4,5-trimethyl-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 100711058
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
4-methyl-1-(4-pyrrol-1-ylphenyl)piperidine
CID 91674771
2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide
CID 55914592

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one?
The IUPAC name of 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one (CID 83971788) is 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one.
What is the SMILES notation for 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one?
The canonical SMILES for 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one is CNC(C)C(=O)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one?
The InChIKey is KGHYPBRCSRFHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-8-10-18(11-9-12)15-6-4-14(5-7-15)16(19)13(2)17-3/h4-7,12-13,17H,8-11H2,1-3H3.
What are the key properties of 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one?
2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one has a molecular weight of 260.38 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one is sourced from PubChem (CID 83971788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).