1-(N-piperidin-4-ylanilino)propan-2-one

C14H20N2O — CID 15358

IUPAC1-(N-piperidin-4-ylanilino)propan-2-one
SMILESCC(=O)CN(c1ccccc1)C1CCNCC1
InChIInChI=1S/C14H20N2O/c1-12(17)11-16(13-5-3-2-4-6-13)14-7-9-15-10-8-14/h2-6,14-15H,7-11H2,1H3
InChIKeyBIZQDXDATHIKRM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.83
Rot. Bonds4

About 1-(N-piperidin-4-ylanilino)propan-2-one

1-(N-piperidin-4-ylanilino)propan-2-one (PubChem CID 15358) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(N-piperidin-4-ylanilino)propan-2-one.

Molecular Properties

Compound Name1-(N-piperidin-4-ylanilino)propan-2-one
PubChem CID15358
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-(N-piperidin-4-ylanilino)propan-2-one
SMILESCC(=O)CN(c1ccccc1)C1CCNCC1
InChIInChI=1S/C14H20N2O/c1-12(17)11-16(13-5-3-2-4-6-13)14-7-9-15-10-8-14/h2-6,14-15H,7-11H2,1H3
InChIKeyBIZQDXDATHIKRM-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-phenylazepan-4-amine
CID 112690283
4-[benzyl(piperidin-4-yl)amino]benzamide
CID 174618733
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
CID 117065158
N-ethyl-N-phenyl-2-[piperidin-4-yl(propyl)amino]acetamide
CID 119932706
N-benzyl-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912897
N-(2-amino-2-oxoethyl)-N-piperidin-4-ylbenzamide
CID 60802269
methyl 2-[(2-amino-2-oxoethyl)-piperidin-4-ylamino]benzoate
CID 70202731
(E)-N-(2-amino-2-oxoethyl)-3-phenyl-N-piperidin-4-ylprop-2-enamide
CID 60799814
2-[methyl(pyrrolidin-3-yl)amino]-N-phenyl-N-propan-2-ylacetamide
CID 63298363
N-[2-(dimethylamino)ethyl]-N-phenylpiperidine-4-carboxamide
CID 119867193
N-benzyl-N-methylpiperidine-4-carboxamide
CID 5103038

Frequently Asked Questions

What is the IUPAC name of 1-(N-piperidin-4-ylanilino)propan-2-one?
The IUPAC name of 1-(N-piperidin-4-ylanilino)propan-2-one (CID 15358) is 1-(N-piperidin-4-ylanilino)propan-2-one.
What is the SMILES notation for 1-(N-piperidin-4-ylanilino)propan-2-one?
The canonical SMILES for 1-(N-piperidin-4-ylanilino)propan-2-one is CC(=O)CN(c1ccccc1)C1CCNCC1.
What is the InChIKey of 1-(N-piperidin-4-ylanilino)propan-2-one?
The InChIKey is BIZQDXDATHIKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(17)11-16(13-5-3-2-4-6-13)14-7-9-15-10-8-14/h2-6,14-15H,7-11H2,1H3.
What are the key properties of 1-(N-piperidin-4-ylanilino)propan-2-one?
1-(N-piperidin-4-ylanilino)propan-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(N-piperidin-4-ylanilino)propan-2-one is sourced from PubChem (CID 15358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).