methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate

C14H16F2N2O3 — CID 110821660

IUPACmethyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H16F2N2O3/c1-21-14(20)17-10-4-6-18(7-5-10)13(19)9-2-3-11(15)12(16)8-9/h2-3,8,10H,4-7H2,1H3,(H,17,20)
InChIKeyRXRQODOTQOGNDG-UHFFFAOYSA-N
MW298.29 g/mol
LogP1.93
Rot. Bonds2

About methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate

methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate (PubChem CID 110821660) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
PubChem CID110821660
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Namemethyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate
SMILESCOC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C14H16F2N2O3/c1-21-14(20)17-10-4-6-18(7-5-10)13(19)9-2-3-11(15)12(16)8-9/h2-3,8,10H,4-7H2,1H3,(H,17,20)
InChIKeyRXRQODOTQOGNDG-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[1-(4-fluoro-3-sulfanylbenzoyl)pyrrolidin-3-yl]carbamate
CID 107034377
N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821662
N-cyclopropyl-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113002549
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
methyl N-[1-(pyridine-4-carbonyl)piperidin-4-yl]carbamate
CID 110821211
N-[1-(3-amino-4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 115738808
(3,4-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749741
(4-fluoro-3-hydroxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 90382644
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785
1-(3,4-difluorobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 110350917
[4-(ethylamino)piperidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81283284

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate (CID 110821660) is methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate is COC(=O)NC1CCN(C(=O)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate?
The InChIKey is RXRQODOTQOGNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-21-14(20)17-10-4-6-18(7-5-10)13(19)9-2-3-11(15)12(16)8-9/h2-3,8,10H,4-7H2,1H3,(H,17,20).
What are the key properties of methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate?
methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate has a molecular weight of 298.29 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(3,4-difluorobenzoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 110821660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).