(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone

C16H24N2O2 — CID 61170146

IUPAC(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(N)c(C)c2)C1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-14-5-4-8-18(11-14)16(19)13-6-7-15(17)12(2)10-13/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3
InChIKeyASJWKMAETSUOLV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.61
Rot. Bonds4

About (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone

(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone (PubChem CID 61170146) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
PubChem CID61170146
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2ccc(N)c(C)c2)C1
InChIInChI=1S/C16H24N2O2/c1-3-9-20-14-5-4-8-18(11-14)16(19)13-6-7-15(17)12(2)10-13/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3
InChIKeyASJWKMAETSUOLV-UHFFFAOYSA-N
XLogP2.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973
(4-bromophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029100
(2-amino-5-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107074802
(4-bromo-3-hydroxyphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103872801
4-(3-propoxypiperidine-1-carbonyl)benzenecarbothioamide
CID 47827117
(4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 46029094
[4-(chloromethyl)phenyl]-(3-propoxypiperidin-1-yl)methanone
CID 61169758
(2,3-dimethyl-1H-indol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 52537995
(5-bromothiophen-3-yl)-(3-propoxypiperidin-1-yl)methanone
CID 61171322
(2-amino-4-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61170144
methyl 3-methyl-4-[[(3R)-3-propoxypiperidine-1-carbonyl]amino]benzoate
CID 95198757
(3-bromo-5-chlorophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 103826766

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone (CID 61170146) is (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2ccc(N)c(C)c2)C1.
What is the InChIKey of (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is ASJWKMAETSUOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-9-20-14-5-4-8-18(11-14)16(19)13-6-7-15(17)12(2)10-13/h6-7,10,14H,3-5,8-9,11,17H2,1-2H3.
What are the key properties of (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone?
(4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-methylphenyl)-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 61170146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).