1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide

C23H29FN4O3 — CID 86899172

IUPAC1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCNC(=O)Nc2c(F)cccc2Oc2ccccc2)CC1
InChIInChI=1S/C23H29FN4O3/c24-19-9-6-10-20(31-18-7-2-1-3-8-18)21(19)27-23(30)26-13-4-5-14-28-15-11-17(12-16-28)22(25)29/h1-3,6-10,17H,4-5,11-16H2,(H2,25,29)(H2,26,27,30)
InChIKeyVSMIKHPTGOZIIA-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.72
Rot. Bonds9

About 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide

1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide (PubChem CID 86899172) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide
PubChem CID86899172
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC Name1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCCCNC(=O)Nc2c(F)cccc2Oc2ccccc2)CC1
InChIInChI=1S/C23H29FN4O3/c24-19-9-6-10-20(31-18-7-2-1-3-8-18)21(19)27-23(30)26-13-4-5-14-28-15-11-17(12-16-28)22(25)29/h1-3,6-10,17H,4-5,11-16H2,(H2,25,29)(H2,26,27,30)
InChIKeyVSMIKHPTGOZIIA-UHFFFAOYSA-N
XLogP3.72
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(2-phenoxybenzoyl)amino]propyl]piperidine-3-carboxamide
CID 51134727
1-[4-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111005067
1-[4-[[N'-methyl-N-(2-phenoxyethyl)carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111005066
1-[4-[[N-ethyl-N'-[2-(2-fluorophenoxy)propyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111684317
1-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2399286
N-(2-fluoro-6-phenoxyphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 75502909
1-[4-(2,2,2-trifluoroethylcarbamoylamino)butyl]piperidine-4-carboxamide
CID 56796177
1-[4-[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]butyl]piperidine-4-carboxamide
CID 111060575
1-(2-fluoro-6-phenoxyphenyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 86899115
1-[4-[[N'-[[2-(cyclopropylmethoxy)phenyl]methyl]-N-ethylcarbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111577975
1-[(2-fluorophenyl)methyl]-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 45016319
N-(2-fluoro-6-phenoxyphenyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 56782965

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide (CID 86899172) is 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCCCNC(=O)Nc2c(F)cccc2Oc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide?
The InChIKey is VSMIKHPTGOZIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O3/c24-19-9-6-10-20(31-18-7-2-1-3-8-18)21(19)27-23(30)26-13-4-5-14-28-15-11-17(12-16-28)22(25)29/h1-3,6-10,17H,4-5,11-16H2,(H2,25,29)(H2,26,27,30).
What are the key properties of 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide?
1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 3.72, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluoro-6-phenoxyphenyl)carbamoylamino]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 86899172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).