oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide

C16H22N2O5 — CID 117065158

IUPACoxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H20N2O.C2H2O4/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13;3-1(4)2(5)6/h3-7,13,15H,2,8-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyOLFNESLXXQCODF-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.34
Rot. Bonds3

About oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide

oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide (PubChem CID 117065158) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Nameoxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
PubChem CID117065158
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Nameoxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCNCC1.O=C(O)C(=O)O
InChIInChI=1S/C14H20N2O.C2H2O4/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13;3-1(4)2(5)6/h3-7,13,15H,2,8-11H2,1H3;(H,3,4)(H,5,6)
InChIKeyOLFNESLXXQCODF-UHFFFAOYSA-N
XLogP1.34
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpiperidin-4-yl)-N-phenylpropanamide
CID 155269375
N-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide
CID 156786567
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
N-(4-chlorophenyl)-N-piperidin-4-ylbutanamide
CID 174614348
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171
N-[1-methyl-1-(2-phenylethyl)piperidin-1-ium-4-yl]-N-phenylpropanamide
CID 166129741
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
1-(N-piperidin-4-ylanilino)propan-2-one
CID 15358
(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90268843

Frequently Asked Questions

What is the IUPAC name of oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide?
The IUPAC name of oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide (CID 117065158) is oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide is CCC(=O)N(c1ccccc1)C1CCNCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide?
The InChIKey is OLFNESLXXQCODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.C2H2O4/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13;3-1(4)2(5)6/h3-7,13,15H,2,8-11H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide?
oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide has a molecular weight of 322.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 117065158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).