2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one

C15H22N2O2 — CID 43083385

IUPAC2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
SMILESCOc1cccc(NC(C)C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12(15(18)17-9-4-3-5-10-17)16-13-7-6-8-14(11-13)19-2/h6-8,11-12,16H,3-5,9-10H2,1-2H3
InChIKeySBSKDDQBVFSDNP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.51
Rot. Bonds4

About 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one

2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43083385) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
PubChem CID43083385
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one
SMILESCOc1cccc(NC(C)C(=O)N2CCCCC2)c1
InChIInChI=1S/C15H22N2O2/c1-12(15(18)17-9-4-3-5-10-17)16-13-7-6-8-14(11-13)19-2/h6-8,11-12,16H,3-5,9-10H2,1-2H3
InChIKeySBSKDDQBVFSDNP-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
2-(3-ethylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083698
(2R)-2-(naphthalen-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 41328427
(2S)-2-[4-methoxy-3-(4-methoxyphenoxy)anilino]-1-pyrrolidin-1-ylpropan-1-one
CID 25329944
2-(3-nitroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 112683085
N-cyclopropyl-3-[[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]benzamide
CID 9361250
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
(2R)-2-(2-phenoxyanilino)-1-piperidin-1-ylpropan-1-one
CID 2462402
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-(4-propan-2-yloxyanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 43123154

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one (CID 43083385) is 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one is COc1cccc(NC(C)C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is SBSKDDQBVFSDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(15(18)17-9-4-3-5-10-17)16-13-7-6-8-14(11-13)19-2/h6-8,11-12,16H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one?
2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43083385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).