1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone

C17H26N2O2 — CID 60935911

IUPAC1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
SMILESCCCOc1cc(C)ccc1NC1CCN(C(C)=O)CC1
InChIInChI=1S/C17H26N2O2/c1-4-11-21-17-12-13(2)5-6-16(17)18-15-7-9-19(10-8-15)14(3)20/h5-6,12,15,18H,4,7-11H2,1-3H3
InChIKeyQNVBSPJKRUEHGZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds5

About 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone

1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone (PubChem CID 60935911) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
PubChem CID60935911
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone
SMILESCCCOc1cc(C)ccc1NC1CCN(C(C)=O)CC1
InChIInChI=1S/C17H26N2O2/c1-4-11-21-17-12-13(2)5-6-16(17)18-15-7-9-19(10-8-15)14(3)20/h5-6,12,15,18H,4,7-11H2,1-3H3
InChIKeyQNVBSPJKRUEHGZ-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(4-methyl-2-propoxyphenyl)pyrrolidin-3-amine
CID 62981319
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
4,4-dimethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083053
4-ethyl-N-(4-methyl-2-propoxyphenyl)cycloheptan-1-amine
CID 65083052
N-(3,5-dimethylcyclohexyl)-4-methyl-2-propoxyaniline
CID 64753195
4-methyl-N-(3-propan-2-ylcyclobutyl)-2-propoxyaniline
CID 103561671
N-(3-ethylcyclopentyl)-4-methyl-2-propoxyaniline
CID 64501327
N-[2-(2-methoxyethoxy)-4-methylphenyl]cycloheptanamine
CID 60934945
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1,1-dioxothian-4-amine
CID 60934699
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
4-methyl-N-(2-methylcyclopentyl)-2-propoxyaniline
CID 65045783
ethyl 4-(2-methoxy-5-methylanilino)piperidine-1-carboxylate
CID 43761080

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone (CID 60935911) is 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone is CCCOc1cc(C)ccc1NC1CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone?
The InChIKey is QNVBSPJKRUEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-11-21-17-12-13(2)5-6-16(17)18-15-7-9-19(10-8-15)14(3)20/h5-6,12,15,18H,4,7-11H2,1-3H3.
What are the key properties of 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone?
1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone has a molecular weight of 290.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-2-propoxyanilino)piperidin-1-yl]ethanone is sourced from PubChem (CID 60935911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).