1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

C32H48N4O4 — CID 158433136

IUPAC1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCNCC1.CCC(=O)N1CCC(COC)(Nc2ccccc2)CC1
InChIInChI=1S/2C16H24N2O2/c1-3-15(19)18-11-9-16(10-12-18,13-20-2)17-14-7-5-4-6-8-14;1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h2*4-8,17H,3,9-13H2,1-2H3
InChIKeyHBXBDKXFGMQQOP-UHFFFAOYSA-N
MW552.76 g/mol
LogP4.71
Rot. Bonds10

About 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 158433136) has the molecular formula C32H48N4O4 and a molecular weight of 552.76 g/mol. Its IUPAC name is 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID158433136
Molecular FormulaC32H48N4O4
Molecular Weight552.76 g/mol
Exact Mass552.37
IUPAC Name1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCNCC1.CCC(=O)N1CCC(COC)(Nc2ccccc2)CC1
InChIInChI=1S/2C16H24N2O2/c1-3-15(19)18-11-9-16(10-12-18,13-20-2)17-14-7-5-4-6-8-14;1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h2*4-8,17H,3,9-13H2,1-2H3
InChIKeyHBXBDKXFGMQQOP-UHFFFAOYSA-N
XLogP4.71
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.76
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-anilino-1-[2-(1-ethyltetrazol-5-yl)oxyethyl]piperidin-4-yl]methanol;butanoyl chloride;chloroform;1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)-N-phenylpiperidin-4-amine;N-[1-[2-(1-ethyltetrazol-5-yl)oxyethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 157283573
N-[4-(methoxymethyl)-1-[2-(5-oxo-2-phenylpyrazolidin-1-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 14879890
N-[1-(1-hydroxy-1-thiophen-2-ylpropan-2-yl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 19772576
N-[1-[2-(3,3-dimethyl-2-oxoindol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 19772611
CID 70906736
CID 70906736
4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
CID 155876364
methyl 3-[4-(methylperoxymethyl)-4-(N-propanoylanilino)piperidin-1-yl]propanoate
CID 89088772
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;4-methylbenzenesulfonic acid
CID 175045392
hexanedioic acid;N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 53340920
N-[4-(methoxymethyl)-1-[2-(5-methyl-2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 19772560
N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide;octadecanoic acid
CID 23299017
N-(2-anilino-2-oxoethyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624225

Frequently Asked Questions

What is the IUPAC name of 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (CID 158433136) is 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCNCC1.CCC(=O)N1CCC(COC)(Nc2ccccc2)CC1.
What is the InChIKey of 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is HBXBDKXFGMQQOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H24N2O2/c1-3-15(19)18-11-9-16(10-12-18,13-20-2)17-14-7-5-4-6-8-14;1-3-15(19)18(14-7-5-4-6-8-14)16(13-20-2)9-11-17-12-10-16/h2*4-8,17H,3,9-13H2,1-2H3.
What are the key properties of 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 552.76 g/mol, XLogP of 4.71, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 158433136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).