N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide

C19H27N3O2 — CID 16892366

IUPACN'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)NC1CC1
InChIInChI=1S/C19H27N3O2/c23-18(19(24)21-16-8-9-16)20-12-4-5-15-6-10-17(11-7-15)22-13-2-1-3-14-22/h6-7,10-11,16H,1-5,8-9,12-14H2,(H,20,23)(H,21,24)
InChIKeyJFBKWVFKVMZEHL-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.00
Rot. Bonds6

About N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide

N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide (PubChem CID 16892366) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
PubChem CID16892366
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
SMILESO=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)NC1CC1
InChIInChI=1S/C19H27N3O2/c23-18(19(24)21-16-8-9-16)20-12-4-5-15-6-10-17(11-7-15)22-13-2-1-3-14-22/h6-7,10-11,16H,1-5,8-9,12-14H2,(H,20,23)(H,21,24)
InChIKeyJFBKWVFKVMZEHL-UHFFFAOYSA-N
XLogP2.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-cyclopentyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892053
N'-cyclopentyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892223
N'-cyclopentyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891637
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,6-dimethylphenyl)oxamide
CID 16891945
N'-cyclopropyl-N-[3-[4-(dimethylamino)phenyl]propyl]oxamide
CID 16892026
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-chlorophenyl)oxamide
CID 16891953
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(3,4-dimethylphenyl)oxamide
CID 16891955
N'-(2-fluorophenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide
CID 16892338
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide (CID 16892366) is N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide is O=C(NCCCc1ccc(N2CCCCC2)cc1)C(=O)NC1CC1.
What is the InChIKey of N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
The InChIKey is JFBKWVFKVMZEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(19(24)21-16-8-9-16)20-12-4-5-15-6-10-17(11-7-15)22-13-2-1-3-14-22/h6-7,10-11,16H,1-5,8-9,12-14H2,(H,20,23)(H,21,24).
What are the key properties of N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide?
N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide has a molecular weight of 329.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[3-(4-piperidin-1-ylphenyl)propyl]oxamide is sourced from PubChem (CID 16892366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).