butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate

C17H23FN2O3 — CID 108563672

IUPACbutyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate
SMILESCCCCOC(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O3/c1-2-3-12-23-17(22)19-15-8-10-20(11-9-15)16(21)13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyARIZDIIZFBRSSK-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.96
Rot. Bonds5

About butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate

butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate (PubChem CID 108563672) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate
PubChem CID108563672
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Namebutyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate
SMILESCCCCOC(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C17H23FN2O3/c1-2-3-12-23-17(22)19-15-8-10-20(11-9-15)16(21)13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,19,22)
InChIKeyARIZDIIZFBRSSK-UHFFFAOYSA-N
XLogP2.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
butyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 108565971
butyl N-[1-[4-[3,5-dichloro-4-[(1-cyclohexyl-2-oxopyrrolidin-3-yl)methyl]phenyl]benzoyl]piperidin-4-yl]carbamate
CID 67522818
butyl N-[1-(2,2-diphenylacetyl)piperidin-4-yl]carbamate
CID 108563754
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108563373
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate (CID 108563672) is butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate is CCCCOC(=O)NC1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate?
The InChIKey is ARIZDIIZFBRSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-2-3-12-23-17(22)19-15-8-10-20(11-9-15)16(21)13-4-6-14(18)7-5-13/h4-7,15H,2-3,8-12H2,1H3,(H,19,22).
What are the key properties of butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate?
butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate has a molecular weight of 322.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-(4-fluorobenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 108563672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).