N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide

C21H26N2O2 — CID 2894189

IUPACN-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-2-15-25-20-8-6-7-17(16-20)21(24)22-18-9-11-19(12-10-18)23-13-4-3-5-14-23/h6-12,16H,2-5,13-15H2,1H3,(H,22,24)
InChIKeyAWZPSGFHIZXGNG-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.72
Rot. Bonds6

About N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide

N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide (PubChem CID 2894189) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
PubChem CID2894189
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(4-piperidin-1-ylphenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-2-15-25-20-8-6-7-17(16-20)21(24)22-18-9-11-19(12-10-18)23-13-4-3-5-14-23/h6-12,16H,2-5,13-15H2,1H3,(H,22,24)
InChIKeyAWZPSGFHIZXGNG-UHFFFAOYSA-N
XLogP4.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpropoxy)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7491837
3-butoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 2200234
N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-butoxybenzamide
CID 3140260
3-phenylmethoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2275832
N-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 5202976
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
N-[4-(azepan-1-yl)phenyl]-3-phenoxybenzamide
CID 7582084
3-ethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 834145
N-[4-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]phenyl]-3-propoxybenzamide
CID 17050493
3-propoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161679
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126

Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide?
The IUPAC name of N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide (CID 2894189) is N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide?
The InChIKey is AWZPSGFHIZXGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-15-25-20-8-6-7-17(16-20)21(24)22-18-9-11-19(12-10-18)23-13-4-3-5-14-23/h6-12,16H,2-5,13-15H2,1H3,(H,22,24).
What are the key properties of N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide?
N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide has a molecular weight of 338.45 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)-3-propoxybenzamide is sourced from PubChem (CID 2894189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).