N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

C25H33N3O3 — CID 60553985

IUPACN-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C25H33N3O3/c1-3-27(4-2)22-14-12-21(13-15-22)26-25(30)20-9-8-17-28(19-20)24(29)16-18-31-23-10-6-5-7-11-23/h5-7,10-15,20H,3-4,8-9,16-19H2,1-2H3,(H,26,30)
InChIKeyNBLSOVKNYUXLQJ-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.18
Rot. Bonds9

About N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide

N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (PubChem CID 60553985) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
PubChem CID60553985
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1
InChIInChI=1S/C25H33N3O3/c1-3-27(4-2)22-14-12-21(13-15-22)26-25(30)20-9-8-17-28(19-20)24(29)16-18-31-23-10-6-5-7-11-23/h5-7,10-15,20H,3-4,8-9,16-19H2,1-2H3,(H,26,30)
InChIKeyNBLSOVKNYUXLQJ-UHFFFAOYSA-N
XLogP4.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 55966129
N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55968781
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55966537
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-(4-ethoxyphenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854197
N-(4-acetamidophenyl)-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854580
1-[3-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 56512509
N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553205
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
CID 47078434
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide
CID 56502988

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide (CID 60553985) is N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is CCN(CC)c1ccc(NC(=O)C2CCCN(C(=O)CCOc3ccccc3)C2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
The InChIKey is NBLSOVKNYUXLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-3-27(4-2)22-14-12-21(13-15-22)26-25(30)20-9-8-17-28(19-20)24(29)16-18-31-23-10-6-5-7-11-23/h5-7,10-15,20H,3-4,8-9,16-19H2,1-2H3,(H,26,30).
What are the key properties of N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide?
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.18, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 60553985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).