1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide

C22H27N3O3 — CID 51134727

IUPAC1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCNC(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c23-21(26)17-8-6-14-25(16-17)15-7-13-24-22(27)19-11-4-5-12-20(19)28-18-9-2-1-3-10-18/h1-5,9-12,17H,6-8,13-16H2,(H2,23,26)(H,24,27)
InChIKeyQLOHDGSMABCJNL-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.80
Rot. Bonds8

About 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide

1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide (PubChem CID 51134727) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
PubChem CID51134727
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(CCCNC(=O)c2ccccc2Oc2ccccc2)C1
InChIInChI=1S/C22H27N3O3/c23-21(26)17-8-6-14-25(16-17)15-7-13-24-22(27)19-11-4-5-12-20(19)28-18-9-2-1-3-10-18/h1-5,9-12,17H,6-8,13-16H2,(H2,23,26)(H,24,27)
InChIKeyQLOHDGSMABCJNL-UHFFFAOYSA-N
XLogP2.80
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-[2-[[2-(dimethylamino)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 28733147
N-[3-(3-carbamoylpiperidin-1-yl)propyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 56547756
1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 118780803
(3R)-1-[3-[[3-(4-fluorophenyl)benzoyl]amino]propyl]piperidine-3-carboxamide
CID 125172984
(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
CID 52516463
1-[3-[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]propyl]piperidine-3-carboxamide
CID 110951080
1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide
CID 86899172
1-[3-[[N'-methyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide
CID 111359170
1-[3-[[(E)-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enoyl]amino]propyl]piperidine-3-carboxamide
CID 56547916
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-[3-[[N-ethyl-N'-[(1-phenylsulfanylcyclopropyl)methyl]carbamimidoyl]amino]propyl]piperidine-3-carboxamide;hydroiodide
CID 111557433
(3R)-1-[3-[[2-(dimethylamino)phenyl]carbamoylamino]propyl]piperidine-3-carboxamide
CID 95350170

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide (CID 51134727) is 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide is NC(=O)C1CCCN(CCCNC(=O)c2ccccc2Oc2ccccc2)C1.
What is the InChIKey of 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide?
The InChIKey is QLOHDGSMABCJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c23-21(26)17-8-6-14-25(16-17)15-7-13-24-22(27)19-11-4-5-12-20(19)28-18-9-2-1-3-10-18/h1-5,9-12,17H,6-8,13-16H2,(H2,23,26)(H,24,27).
What are the key properties of 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide?
1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 51134727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).