4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide

C22H28N2O2 — CID 2269315

IUPAC4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-3-17-26-21-13-7-18(8-14-21)22(25)23-19-9-11-20(12-10-19)24-15-5-4-6-16-24/h7-14H,2-6,15-17H2,1H3,(H,23,25)
InChIKeyVGOJUYHCBSEZFJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP5.11
Rot. Bonds7

About 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide

4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 2269315) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID2269315
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C22H28N2O2/c1-2-3-17-26-21-13-7-18(8-14-21)22(25)23-19-9-11-20(12-10-19)24-15-5-4-6-16-24/h7-14H,2-6,15-17H2,1H3,(H,23,25)
InChIKeyVGOJUYHCBSEZFJ-UHFFFAOYSA-N
XLogP5.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17196372
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
CID 2894189
N-(4-ethylphenyl)-4-piperidin-1-ylbenzamide
CID 53282362
N-[4-(piperidine-1-carbonyl)phenyl]-4-propoxybenzamide
CID 26167540
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(3-amino-4-pyrrolidin-1-ylphenyl)-4-butoxybenzamide;N-methylmethanamine
CID 142931385
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 3928894
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide (CID 2269315) is 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide is CCCCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is VGOJUYHCBSEZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-2-3-17-26-21-13-7-18(8-14-21)22(25)23-19-9-11-20(12-10-19)24-15-5-4-6-16-24/h7-14H,2-6,15-17H2,1H3,(H,23,25).
What are the key properties of 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide?
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 2269315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).